From 583354797956b38481a9549e1f71013a9f814127 Mon Sep 17 00:00:00 2001 From: Jermiah Date: Thu, 7 Mar 2024 14:22:54 +0000 Subject: [PATCH] Added CTRP treatmentIDs to use for examples and test suite --- R/data.R | 20 +- data-raw/ctrp_treatmentMetadata.R | 14 + data/ctrp_treatmentIDs.rda | Bin 0 -> 6027 bytes inst/extdata/v20.meta.per_compound.txt | 546 +++++++++++++++++++++++++ man/ctrp_treatmentIDs.Rd | 28 ++ 5 files changed, 607 insertions(+), 1 deletion(-) create mode 100644 data-raw/ctrp_treatmentMetadata.R create mode 100644 data/ctrp_treatmentIDs.rda create mode 100644 inst/extdata/v20.meta.per_compound.txt create mode 100644 man/ctrp_treatmentIDs.Rd diff --git a/R/data.R b/R/data.R index 2c04144..bf62fe0 100644 --- a/R/data.R +++ b/R/data.R @@ -45,4 +45,22 @@ #' data(cell_model_passports_models) #' head(cell_model_passports_models) #' @source https://cog.sanger.ac.uk/cmp/download/model_list_20240103.csv -"cell_model_passports_models" \ No newline at end of file +"cell_model_passports_models" + + +#' ctrp_treatmentIDs is a preprocessed version of the CTRP treatment metadata. +#' +#' Data was obtained from "https://ctd2-data.nci.nih.gov/Public/Broad/CTRPv2.0_2015_ctd2_ExpandedDataset/CTRPv2.0_2015_ctd2_ExpandedDataset.zip" +#' and preprocessed to only get two columns: CTRP.treatmentid and CTRP.broad_cpd_id. +#' +#' @format A data table with 2 columns and 545 rows. +#' \describe{ +#' \item{CTRP.treatmentid}{`char` The treatment id of the all the compounds used in the experiment.} +#' \item{CTRP.broad_cpd_id}{`char` The broad compound id of the all the compounds used in the experiment.} +#' } +#' @usage data(ctrp_treatmentIDs) +#' @examples +#' data(ctrp_treatmentIDs) +#' head(ctrp_treatmentIDs) +#' @source https://ctd2-data.nci.nih.gov/Public/Broad/CTRPv2.0_2015_ctd2_ExpandedDataset/CTRPv2.0_2015_ctd2_ExpandedDataset.zip +"ctrp_treatmentIDs" \ No newline at end of file diff --git a/data-raw/ctrp_treatmentMetadata.R b/data-raw/ctrp_treatmentMetadata.R new file mode 100644 index 0000000..50b1d53 --- /dev/null +++ b/data-raw/ctrp_treatmentMetadata.R @@ -0,0 +1,14 @@ +## File: v20.meta.per_compound.txt +## obtained from "https://ctd2-data.nci.nih.gov/Public/Broad/CTRPv2.0_2015_ctd2_ExpandedDataset/CTRPv2.0_2015_ctd2_ExpandedDataset.zip" + +# Load the treatment metadata file +filePath <- system.file("extdata", "v20.meta.per_compound.txt", package = "AnnotationGx") +ctrp_treatmentIDs <- data.table::fread(filePath)[, .(cpd_name, broad_cpd_id)] + +# Rename the columns +data.table::setnames( + ctrp_treatmentIDs, + c("cpd_name", "broad_cpd_id"), c("CTRP.treatmentid", "CTRP.broad_cpd_id")) + +# Save the treatment metadata as a data object +usethis::use_data(ctrp_treatmentIDs, overwrite = TRUE) diff --git a/data/ctrp_treatmentIDs.rda b/data/ctrp_treatmentIDs.rda new file mode 100644 index 0000000000000000000000000000000000000000..4cf8d641c2a1a7b02df9416a259eac3a522a2089 GIT binary patch literal 6027 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Z1037336336 C1CN(CCO1)c1nnc(-c2ccccc2)c(n1)-c1ccccc1 +18311 Bax channel blocker BRD-A18763547 3.30E+01 probe pilot-set BAX inhibitor of BAX-mediated mitochondrial cytochrome c release Maybridge RJC01737 OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 +19153 BRD9876 BRD-K89329876 1.30E+02 probe pilot-set screening hit Sigma-Aldrich 425265 CC(C)(C)c1ccc2cc(C#N)c(cc2c1)C#N +23151 tretinoin BRD-K64634304 1.30E+02 FDA chromatin;pilot-set RARA;RARB;RARG agonist of retinoid acid receptors Sigma-Aldrich;Sigma-Aldrich R2625;R2625-50MG CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C +23256 betulinic acid BRD-K45401373 6.60E+01 probe chromatin;lit-search natural product; inhibitor of specificity protein 1 transcription factor in cells Tocris Bioscience 3906 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O +24173 phloretin BRD-K15563106 5.90E+02 probe pilot-set SLC5A1 natural product; inhibitor of glucose uptake Sigma-Aldrich P7912 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 +24197 thalidomide BRD-A93255169 6.60E+01 FDA CTEP;kinome CRBN immunomodulatory drug; binder of cereblon Selleck S1193 O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12 +25036 gossypol BRD-K19295594 3.70E+01 clinical CTEP;pilot-set BCL2;BCL2L1;LDHA;LDHB;LDHC inhibitor of lactate dehydrogenase; inhibitor of BCL2 family members ChemDiv Inc.;Sigma-Aldrich N010-0015;G8761 CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O +25334 chlorambucil BRD-K29458283 2.70E+02 FDA std-of-care DNA alkylator Sigma-Aldrich C0253 OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl +25344 fluorouracil BRD-K24844714 1.30E+02 FDA std-of-care TYMS pyrimidine analog; inhibitor of thymidylate synthase Selleck S1209 Fc1c[nH]c(=O)[nH]c1=O +25393 isoliquiritigenin BRD-K33583600 3.30E+01 probe pilot-set natural product MicroSource Discovery Systems Inc. 01504200 Oc1ccc(cc1)\C=C\C(=O)c1ccc(O)cc1O +26870 cimetidine BRD-K34157611 2.70E+02 FDA lit-search HRH2 inhibitor of histidine receptor H2 Tocris Bioscience 0902 CN\C(NCCSCc1nc[nH]c1C)=N/C#N +26874 azacitidine BRD-K03406345 6.60E+01 FDA CTEP;std-of-care DNMT1 inhibitor of DNA methyltransferase Selleck S1782 Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 +26914 trifluoperazine BRD-K89732114 3.30E+01 FDA pilot-set DRD2 antagonist of dopamine receptor D2 Toronto Research Chemicals T779200 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 +26956 paclitaxel BRD-A28746609 6.60E+01 FDA std-of-care inhibitor of microtubule assembly Selleck S1150 CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 +26972 tamoxifen BRD-K93754473 1.00E+02 FDA chromatin;std-of-care ESR1;ESR2 modulator of estrogen receptors Sigma-Aldrich T5648 CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1 +26979 carboplatin BRD-K11626735 6.60E+01 FDA std-of-care inducer of DNA damage Selleck S1215 O=C1O[Pt]OC(=O)C11CCC1 +27871 teniposide BRD-A35588707 3.30E+01 FDA pilot-set TOP2A;TOP2B inhibitor of topoisomerase II MicroSource Discovery Systems Inc. 01504094 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)C(O[C@@H]2O[C@@H]3CO[C@H](OC3[C@H](O)[C@H]2O)c2cccs2)c2cc3OCOc3cc12 +27872 sildenafil BRD-K50128260 5.30E+02 FDA pilot-set PDE5A inhibitor of phosphodiesterase 5A Toronto Research Chemicals S435000 CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4 +27894 simvastatin BRD-K22134346 3.30E+01 FDA pilot-set HMGCR inhibitor of HMG-CoA reductase Tocris Bioscience 1965 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 +28172 parbendazole BRD-K02407574 6.60E+01 probe pilot-set inhibitor of microtubule assembly Sigma-Aldrich PH009945 CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1 +28183 procarbazine BRD-K13032584 6.60E+01 FDA std-of-care inducer of DNA damage Selleck S1995 CNNCc1ccc(cc1)C(=O)NC(C)C +28452 curcumin BRD-K74148702 1.70E+02 clinical pilot-set natural product; modulator of ROS; modulator of NF-kappa-B signaling Cayman 81025 COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O +28784 ciclopirox BRD-K13044802 6.60E+01 FDA lit-search RRM1 substituted pyridone antimycotic; inhibitor of the iron-dependent enzyme ribonucleotide reductase Sigma-Aldrich C0415 Cc1cc(C2CCCCC2)n(O)c(=O)c1 +28801 epigallocatechin-3-monogallate BRD-K55591206 3.00E+02 probe pilot-set natural product Selleck S2250 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 +29985 myricetin BRD-K43149758 6.60E+01 probe lit-search flavonoid antioxidant Selleck S2326 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O +30371 methotrexate BRD-K59456551 6.60E+01 FDA std-of-care DHFR inhibitor of dihydrofolate reductase Selleck S1210 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O +30620 lovastatin BRD-A70155556 1.30E+02 FDA pilot-set HMGCR inhibitor of HMG-CoA reductase AnalytiCon Discovery GmbH NP-001236 CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12 +32372 valdecoxib BRD-K12994359 6.00E+02 FDA pilot-set PTGS2 inhibitor of cyclooxygenase-2 (COX2) Sigma-Aldrich;Sigma-Aldrich PA0179;PZ0179 Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 +32620 cyclophosphamide BRD-A09722536 1.30E+02 FDA std-of-care DNA alkylator Sigma-Aldrich C0768 ClCCN(CCCl)P1(=O)NCCCO1 +32622 dacarbazine BRD-K35520305 6.60E+01 FDA std-of-care DNA alkylator Selleck S1221 CN(C)\N=N\c1[nH]cnc1C(N)=O +32653 niclosamide BRD-K35960502 3.30E+01 FDA lit-search STAT3 inhibitor of STAT3 signaling Sigma-Aldrich N3510 Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O +33166 prochlorperazine BRD-K19352500 6.60E+01 FDA lit-search DRD2 inhibitor of dopamine receptor D2 Tocris Bioscience 3287 CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 +35319 ifosfamide BRD-A67097164 6.60E+01 FDA std-of-care DNA alkylator Selleck S1302 ClCCNP1(=O)OCCCN1CCCl +36599 doxorubicin BRD-K92093830 6.60E+01 FDA std-of-care TOP2A inhibitor of topoisomerase II Selleck S1208 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO +37190 ouabain BRD-K35708212 2.70E+02 probe lit-search ATP1A1;ATP1A2;ATP1A3;ATP1A4;ATP1B1;ATP1B2;ATP1B3;ATP1B4 cardiac glycoside; inhibitor of the Na+/K+-ATPase Tocris Bioscience 1076 C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O +37479 BRD9647 BRD-K05649647 3.30E+01 probe pilot-set screening hit ChemBridge Corporation 7910659 COc1ccc(cc1)N(C(=O)c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC +39782 piperlongumine BRD-K24132293 3.30E+01 probe pilot-set natural product; modulator of ROS levels Broad Institute of MIT and Harvard COc1cc(cc(OC)c1OC)\C=C\C(=O)N1CCC=CC1=O +42319 BRD-K26531177 BRD-K26531177 3.30E+02 probe outreach analog of the natural product piperlongumine Broad Institute of MIT and Harvard COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC +44503 NSC23766 BRD-A80213327 5.30E+02 probe pilot-set RAC1;TIAM1;TRIO inhibitor of RAC1-GEF interaction; prevents Rac1 activation by Rac-specific guanine nucleotide exchange factors (GEFs) TrioN and Tiam1 Cayman 13196 CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 +44511 pyrazolanthrone BRD-K01567962 6.60E+01 probe kinome MAPK10;MAPK8;MAPK9 inhibitor of Jun N-terminal kinase (JNK) 1/2/3 Selleck S1460 O=C1c2ccccc2-c2n[nH]c3cccc1c23 +44554 C6-ceramide BRD-K08608874 6.60E+01 probe lit-search MAPK1;PPP2CA;UGCG inhibitor of glucosylceramide synthase; activator of MAP kinase (ERK); stimulator of protein phosphatase 2A Sigma-Aldrich H6524 CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCC +44580 topotecan BRD-K55696337 6.60E+01 FDA std-of-care TOP1 inhibitor of topoisomerase I Selleck S1231 CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O +45093 N9-isopropylolomoucine BRD-K71726959 4.00E+02 probe chromatin;kinome;pilot-set CCNB1;CDK1;CDK5;CDK5R1 inhibitor of CDK1/cyclin B and CDK5/p35 complexes Enzo Life Sciences ALX-270-397-M005 CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12 +46792 importazole BRD-A02481876 2.00E+02 probe pilot-set KPNB1 inhibitor of importin Vitas-M Laboratory Ltd.;EMD Biosciences STK171852;401105 CC(Nc1nc(nc2ccccc12)N1CCCC1)c1ccccc1 +48589 etoposide BRD-K37798499 2.80E+01 FDA pilot-set;std-of-care TOP2A inhibitor of topoisomerase II Selleck S1225 COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 +50131 PRIMA-1 BRD-K15318909 1.70E+02 probe pilot-set TP53 re-activator of the pro-apoptotic activity of mutant p53 Tocris Bioscience 1862 OCC1(CO)N2CCC(CC2)C1=O +50134 tanespimycin BRD-K81473043 3.30E+01 clinical pilot-set HSP90AA1 inhibitor of HSP90 Tocris Bioscience 1515 CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O +50140 blebbistatin BRD-A75817871 1.30E+02 probe pilot-set MYH1;MYH2 inhibitor of myosin II ATPases Cayman 13165 Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 +50163 cytochalasin B BRD-K26664453 3.30E+01 probe pilot-set inhibitor of actin polymerization Sigma-Aldrich C6762 C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]22OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@H]2[C@H](O)C1=C +50715 NSC95397 BRD-K68143200 3.30E+01 probe pilot-set CDC25A;CDC25B;CDC25C inhibitor of cell division cycle 25 phosphatase (CDC25) Sigma-Aldrich N1786 OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O +50727 manumycin A BRD-K78599730 3.00E+01 probe pilot-set FNTA;FNTB inhibitor of RAS farnesyltransferase Sigma-Aldrich M6418 CCCC[C@@H](C)\C=C(C)\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2C1=O +50732 mitomycin BRD-K59670716 5.00E+01 FDA pilot-set;std-of-care DNA crosslinker Sigma-Aldrich M0440 CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O +50737 tacrolimus BRD-K69608737 7.40E+01 FDA pilot-set PPP3CA;PPP3CB;PPP3CC;PPP3R1;PPP3R2 inhibitor of calcineurin Selleck S5003 CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC +50747 pifithrin-alpha BRD-K66874953 2.30E+02 probe pilot-set inhibitor of p53-dependent signaling Cayman 13326 Cc1ccc(cc1)C(=O)Cn1c2CCCCc2sc1=N +50753 SB-431542 BRD-K67298865 6.60E+01 probe kinome TGFBR1 inhibitor of the transforming growth factor beta type 1 receptor Selleck S1067 NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCOc2c1 +50769 staurosporine BRD-K17953061 3.30E+00 probe lit-search inhibitor of multiple kinases Sigma-Aldrich;LC Laboratories S4400;S-9300 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 +52123 SB-225002 BRD-K61323504 3.70E+01 probe pilot-set CXCR2 inhibitor of chemokine receptor 2 ChemDiv Inc. K815-2000 Oc1cc(ccc1NC(=O)Nc1ccccc1Br)[N+]([O-])=O +52133 PD 153035 BRD-K26603252 3.30E+01 probe kinome EGFR inhibitor of EGFR Selleck S1079 COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC +52430 cerulenin BRD-K52075040 1.50E+02 probe pilot-set FASN;HMGCS1 inhibitor of fatty acid synthase; inhibitor of HMG-CoA synthase Cayman 10005647 C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O +52576 purmorphamine BRD-K73397362 1.50E+02 probe pilot-set SMO activator of smoothened receptor Tocris Bioscience;Cayman 10009634;10009634 C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12 +52582 GSK-3 inhibitor IX BRD-K04923131 6.60E+01 probe kinome inhibitor of JAK/STAT signaling Tocris Bioscience 3194 O\N=C1/C(Nc2ccccc12)=C1/C(=O)Nc2cc(Br)ccc12 +52882 dasatinib BRD-K49328571 6.60E+01 FDA CTEP;kinome;std-of-care EPHA2;KIT;LCK;SRC;YES1 inhibitor of SRC, YES1, EPHA2, c-KIT, and LCK Selleck S1021 Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 +52926 gefitinib BRD-K64052750 6.60E+01 FDA chromatin;CTEP;kinome;std-of-care AKT1;EGFR inhibitor of EGFR and AKT1 Selleck S1025 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 +52928 erlotinib BRD-K70401845 6.60E+01 FDA CTEP;kinome;std-of-care EGFR;ERBB2 inhibitor of EGFR and HER2 Selleck S1023 COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC +53556 BRD-K94991378 BRD-K94991378 8.30E+01 probe DOS;outreach inducer of ROS Broad Institute of MIT and Harvard COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c2ccccc2OCCO)[C@H]([C@H](OC3=O)c2ccccc2)c2ccccc2)C(=O)NCC=C)c2cc(ccc12)C#CCC(C(=O)OC)C(=O)OC +53705 BIX-01294 BRD-K26818574 3.30E+01 probe chromatin;pilot-set EHMT2 inhibitor of G9a histone methyltransferase Broad Institute of MIT and Harvard COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 +54200 tacedinaline BRD-K52313696 3.30E+01 probe chromatin;lit-search;outreach HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 Stanley Center for Psychiatric Research at the Broad Institute CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N +54210 LBH-589 BRD-K02130563 6.60E+01 clinical chromatin;outreach HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 Stanley Center for Psychiatric Research at the Broad Institute Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 +55307 IC-87114 BRD-K75430629 6.60E+01 probe kinome PIK3CD inhibitor of PI3K catalytic subunit delta Selleck S1268 Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O +55512 ciclosporin BRD-A38030642 3.30E+01 FDA pilot-set PPID inhibitor of calcineurin by binding to cyclophilin D Tocris Bioscience 1101 CCC1NC(=O)C([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C +56554 vorinostat BRD-K81418486 3.30E+01 FDA chromatin;CTEP;pilot-set;std-of-care HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 Toronto Research Chemicals S688700 ONC(=O)CCCCCCC(=O)Nc1ccccc1 +56703 sirolimus BRD-K84937637 3.30E+01 FDA kinome MTOR inhibitor of mTOR Selleck S1039 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O +58339 KU-55933 BRD-K25311561 6.60E+01 probe kinome ATM inhibitor of ataxia telangiectasia mutated (ATM) Selleck S1092 O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 +58442 sitagliptin BRD-K19416115 6.60E+01 FDA outreach DPP4 inhibitor of dipetidyl peptidase-4 Selleck S4002 N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F +58455 AM-580 BRD-K06854232 5.30E+02 probe chromatin;pilot-set RARA agonist of retinoic acid receptor alpha Sigma-Aldrich A8843 CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O +58472 PDMP BRD-K05653692 2.10E+02 probe pilot-set UGCG inhibitor of ceramide glucosyltransferase Enzo Life Sciences BML-SL210 CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c1ccccc1 +58566 BRD-K71935468 BRD-K71935468 8.30E+01 probe DOS;outreach inducer of ROS Broad Institute of MIT and Harvard COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c3ccccc3OCCO)[C@@H]([C@@H](OC4=O)c3ccccc3)c3ccccc3)C(=O)N3CCN(CC3)c3ncccn3)c2c1)C(=O)OC +58948 MG-132 BRD-K60230970 2.00E+01 probe lit-search PSMB1;PSMB2;PSMB5;PSMD1;PSMD2 inhibitor of the proteosome Selleck;Broad Institute of MIT and Harvard S2619 CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O +60218 entinostat BRD-K77908580 6.60E+01 clinical chromatin;CTEP;outreach HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 Stanley Center for Psychiatric Research at the Broad Institute Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 +60225 belinostat BRD-K17743125 6.60E+01 clinical chromatin;CTEP HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 Selleck S1085 ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 +60679 BEC BRD-K53792571 2.70E+02 probe pilot-set ARG1;ARG2 inhibitor of arginase I and II EMD Biosciences 197900 N[C@H](CSCCB(O)O)C(O)=O +61097 apicidin BRD-K64606589 3.30E+01 probe chromatin;outreach HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 Fermentek Ltd Fermentek-AC001 CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O +61674 Merck60 BRD-K04466929 3.30E+01 probe chromatin;pilot-set HDAC1;HDAC2 inhibitor of HDAC1 and HDAC2 Stanley Center for Psychiatric Research at the Broad Institute CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 +61724 BRD-A94377914 BRD-A94377914 3.30E+01 probe chromatin;outreach HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 Stanley Center for Psychiatric Research at the Broad Institute CN1CCCCC1NC(=O)[C@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 +61775 FGIN-1-27 BRD-K09778810 3.30E+01 probe pilot-set TSPO activator of peripheral benzodiazepine receptor/translocator protein Tocris Bioscience 0658 CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1 +62111 compound 1B BRD-A42556028 6.60E+01 probe chromatin;outreach screening hit Enamine Ltd. T0503-7331 CCN(CC)c1ccc(cc1[N+]([O-])=O)C1=NNC(=O)CC1C +62602 vincristine BRD-K82109576 1.30E+02 FDA std-of-care inhibitor of mictrotubule assembly Selleck S1241 CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC +62690 cytarabine hydrochloride BRD-K33106058 6.60E+01 FDA std-of-care inducer of DNA damage Selleck S1648 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 +63349 itraconazole BRD-A34817987 1.70E+01 FDA pilot-set anti-fungal agent; inhibitor of hedgehog signaling pathway Sigma-Aldrich I6657 CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O +63578 erastin BRD-A25004090 6.60E+01 probe pilot-set SLC7A11;VDAC1;VDAC2 modulator of voltage-dependent anion channels; inhibitor of solute carrier SLC7A11 Sigma-Aldrich E7781 CCOc1ccccc1-n1c(=O)c2ccccc2nc1C(C)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1 +96171 ML031 BRD-K38985961 5.30E+02 probe pilot-set S1PR2 inhibitor of sphingosine 1-phosphate receptor 2 Enamine Ltd. Z19746470 Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 +100490 CIL56 BRD-K11740178 2.50E+00 probe pilot-set screening hit Columbia University ON=C1c2cc(ccc2-c2ccc(cc12)S(=O)(=O)N1CCCCC1)S(=O)(=O)N1CCCCC1 +102193 FQI-1 BRD-A91658086 3.30E+01 probe pilot-set inhibitor of LSF1-mediated transcription Boston University CCOc1ccccc1C1CC(=O)Nc2cc3OCOc3cc12 +119769 BRD-K92856060 BRD-K92856060 3.30E+01 probe DOS;outreach screening hit ChemBridge Corporation 7653590 COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(C(C)=O)c1ccc(OC(C)=O)c2ccccc12 +122255 B02 BRD-K10882151 1.30E+02 probe chromatin;pilot-set RAD51 inhibitor of RAD51 Vitas-M Laboratory Ltd. STK856883 O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12 +142931 BRD-K45681478 BRD-K45681478 6.60E+01 probe DOS;outreach product of diversity oriented synthesis; screening hit Broad Institute of MIT and Harvard ClC1=C(NCC=C)C(=O)c2ccccc2C1=O +153820 ML050 BRD-A83255679 6.60E+01 probe pilot-set GPER1 antagonist of GPR30 Asinex Ltd. BAS 02002358 Brc1cc2OCOc2cc1C1Nc2ccccc2C2C=CCC12 +154846 ML162 BRD-A36275421 3.30E+01 probe pilot-set selectively kills engineered cells expressing mutant HRAS ChemDiv Inc. K784-3185 COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl +176181 CIL41 BRD-K05392795 1.60E+02 probe pilot-set screening hit Columbia University N=C(NOC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 +182395 NSC30930 BRD-K29711668 6.60E+01 probe outreach SRD5A2 inhibitor of steroid 5-alpha reductase National Cancer Institute Chemotherapeutic Agents Repository OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 +183526 CIL70 BRD-K20215950 4.00E+01 probe pilot-set screening hit Columbia University Clc1ccc(CC(=N)NOC(=O)c2cccc3ccccc23)cc1 +185987 MI-1 BRD-K64497429 3.30E+01 probe lit-search MEN1 binder of menin; inhibitor of menin-MLL fusion protein InterBioScreen Ltd. STOCK3S-35137 CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc3CCCCc3c12 +199337 DBeQ BRD-K59204667 6.60E+01 probe lit-search VCP inhibitor of p97 in cells Tocris Bioscience 4417 C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1 +215497 Mdivi-1 BRD-K61128465 6.60E+01 probe lit-search DNM1 inhibitor of dynamin 1; inhibitor of mitrochondrial division inhibitor Tocris Bioscience 3982 COc1cc(c(Cl)cc1Cl)-n1c(=S)[nH]c2ccccc2c1=O +255961 ML083 BRD-K44241590 3.70E+01 probe pilot-set PKM activator of muscle pyruvate kinase Enamine Ltd. T6096896 COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1 +267119 CID-5951923 BRD-A86956638 6.60E+01 probe chromatin;lit-search KLF5 modulator of KLF5 expression Tocris Bioscience 4446 CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)\C=C\c1cccc(c1)[N+]([O-])=O +272805 IU1 BRD-K45841694 6.60E+01 probe lit-search USP14 inhibitor of the deubiquitinase activity of USP14 Tocris Bioscience 4088 Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1 +277354 dexamethasone BRD-A35108200 3.30E+01 FDA pilot-set NR3C1 agonist of glucocorticoid receptor ChemDiv Inc. R092-0055 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO +290356 ML311 BRD-A40802033 6.60E+01 probe outreach MCL1 inhibitor of MCL1 Eutropics Pharmaceuticals EU-5346 CCN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1ccc2cccnc2c1O +340501 VX-680 BRD-K59369769 6.60E+01 clinical pilot-set AURKA;AURKB;AURKC inhibitor of aurora kinases Selleck S1048 CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 +345041 imatinib BRD-K92723993 6.60E+01 FDA std-of-care ABL1;BCR;KIT inhibitor of BCR-ABL1 and c-KIT Selleck S2475 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 +345712 O-6-benzylguanine BRD-K92041145 6.60E+01 clinical CTEP MGMT inhibitor of O(6)-alkylguanine DNA alkyltransferases Sigma-Aldrich B2292 Nc1nc(OCc2ccccc2)c2[nH]cnc2n1 +347775 decitabine BRD-K79254416 6.60E+01 FDA chromatin;CTEP;std-of-care DNMT1 inhibitor of DNA methyltransferase Selleck S1200 Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 +347812 CHIR-99021 BRD-K16189898 8.00E+01 probe kinome;pilot-set GSK3B inhibitor of GSK3 beta Selleck S1263 Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl +347813 BI-2536 BRD-K64890080 3.30E+01 clinical kinome;pilot-set PLK1 inhibitor of polo-like kinase 1 (PLK1) Selleck S1109 CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O +348633 BRD-K61166597 BRD-K61166597 6.60E+01 probe chromatin;outreach inhibitor of HDAC1 and HDAC2 Stanley Center for Psychiatric Research at the Broad Institute Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)NCCc1ccncc1)-c1cccs1 +348990 axitinib BRD-K29905972 6.60E+01 FDA kinome FLT1;FLT3;KDR;KIT;PDGFRA;PDGFRB inhibitor of VEGFRs, c-KIT, and PDGFR alpha and beta Selleck S1005 CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 +348991 selumetinib BRD-K57080016 2.70E+02 clinical CTEP;kinome;pilot-set MAP2K1;MAP2K2 inhibitor of MEK1 and MEK2 Selleck S1008 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO +348992 NVP-BEZ235 BRD-K12184916 1.70E+01 clinical kinome;outreach;pilot-set MTOR;PIK3CA;PIK3CB;PIK3CD;PIK3CG inhibitor of PI3K and mTOR kinase activity Spanish National Cancer Research Centre Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 +348997 GW-843682X BRD-K90382497 3.30E+01 probe kinome;pilot-set PLK1;PLK3 inhibitor of PLK1 and PLK3 Axon Medchem 1131 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC +349002 vandetanib BRD-K77625799 6.60E+01 FDA kinome;std-of-care EGFR;KDR inhibitor of VEGFR2 and EGFR Selleck S1046 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 +349006 sorafenib BRD-K23984367 6.60E+01 FDA CTEP;kinome;std-of-care BRAF;FLT3;KDR;RAF1 inhibitor of BRAF, CRAF, and VEGFR2 Cayman 10009644 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 +350548 ML029 BRD-K59962020 3.30E+01 probe chromatin;pilot-set inhibitor of antigen receptor-mediated NFkappaB activity WuXi AppTec TH02453-034 Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C +351043 temozolomide BRD-A94153989 6.60E+01 FDA std-of-care DNA alkylator Selleck S1237 CN1N=Nc2c(ncn2C1=O)C(=O)N +362063 QW-BI-011 BRD-K72264770 3.30E+01 probe chromatin;pilot-set EHMT2 inhibitor of G9a histone methyltransferase Broad Institute of MIT and Harvard COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1 +362207 BRD-K90370028 BRD-K90370028 3.30E+01 probe outreach screening hit Broad Institute of MIT and Harvard CC(=O)N[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1 +362338 SNX-2112 BRD-K71281111 3.70E+01 probe pilot-set HSP90AA1;HSP90B1 inhibitor of HSP90alpha and HSP90beta Broad Institute of MIT and Harvard CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 +362342 navitoclax BRD-K82746043 3.30E+01 clinical CTEP;pilot-set BCL2;BCL2L1;BCL2L2 inhibitor of BCL2, BCL-xL, and BCL-W Selleck S1001 CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +374747 bexarotene BRD-K92441787 6.60E+01 FDA chromatin;std-of-care RXRA;RXRB;RXRG inhibitor of retinoid X receptors LC Laboratories B-2422 Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C +374749 nilotinib BRD-K81528515 6.60E+01 FDA kinome;std-of-care ABL1;BCR;KIT inhibitor of ABL1, BCR, and c-KIT Selleck S1033 Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F +374750 sunitinib BRD-K42828737 6.60E+01 FDA CTEP;kinome FLT1;FLT3;KDR;KIT;PDGFRA;PDGFRB inhibitor of VEGFRs, c-KIT, and PDGFR alpha and beta Selleck S1042 CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C +374755 bendamustine BRD-K17068645 6.60E+01 FDA std-of-care DNA alkylator Selleck S1212 Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl +375219 omacetaxine mepesuccinate BRD-K76674262 6.60E+01 FDA lit-search inhibitor of protein translation by preventing protein elongation Tocris Bioscience 1416 COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC +375256 CD-437 BRD-K28907958 3.70E+01 probe chromatin;pilot-set RARG agonist of retinoic acid receptor gamma Sigma-Aldrich C5865 OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 +375264 SCH-79797 BRD-K17140735 3.70E+01 probe pilot-set F2R antagonist of proteinase-activated receptor 1 (PAR1) Tocris Bioscience 1592 CC(C)c1ccc(Cn2ccc3c2ccc2nc(NC4CC4)nc(N)c32)cc1 +375354 LE-135 BRD-K06593056 6.60E+01 probe pilot-set RARB antagonist of retinoic acid receptor beta Tocris Bioscience 2021 CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C +375366 SKI-II BRD-K20755323 1.30E+02 probe kinome;pilot-set SPHK1 inhibitor of sphingosine kinase 1 Cayman 10009222 Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 +375390 CI-976 BRD-K88544581 2.70E+02 probe pilot-set ACAT1 inhibitor of acetyl-CoA acetyltransferase I Sigma-Aldrich C3743 CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC +375395 Platin BRD-K69172251 6.60E+01 FDA std-of-care DNA alkylator; organoplatinum reagent Selleck S1166 N[Pt](N)(Cl)Cl +375435 necrostatin-1 BRD-A36318220 5.30E+02 probe pilot-set RIPK1 inhibitor of receptor-interacting protein kinase 1; inhibitor of the necroptosis cell death pathway Sigma-Aldrich N9037 CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O +375447 GW-405833 BRD-K10705233 1.30E+02 probe pilot-set CNR2 partial agonist of cannabinoid receptor 2 Sigma-Aldrich G1421 COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 +375487 AC55649 BRD-K93176058 3.30E+01 probe chromatin;pilot-set RARB agonist of retinoic acid receptor beta ChemBridge Corporation 5308535 CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O +375492 RITA BRD-K00317371 3.30E+01 probe pilot-set MDM2;TP53 inhibitor of p53-MDM2 interaction Tocris Bioscience 2443 OCc1ccc(s1)-c1ccc(o1)-c1ccc(CO)s1 +375496 LY-2183240 BRD-K37865504 3.30E+01 probe pilot-set FAAH inhibitor of fatty acid amide hydrolase; inhibitor of anandamide uptake Tocris Bioscience 2452 CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 +375560 Ki8751 BRD-K47150025 6.60E+01 probe kinome KDR;KIT;PDGFRA inhibitor of VEGFR2, c-KIT, and PDGFRA Selleck S1363 COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC +375562 CD-1530 BRD-K25737009 1.30E+02 probe chromatin;pilot-set RARG agonist of retinoic acid receptor gamma Tocris Bioscience 2554 OC(=O)c1ccc(cc1)-c1ccc2cc(c(O)cc2c1)C12CC3CC(CC(C3)C1)C2 +375564 TPCA-1 BRD-K51575138 6.60E+01 probe chromatin;outreach IKBKB inhibitor of IKK-2 Tocris Bioscience 2559 NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 +375582 oxaliplatin BRD-M14820059 6.60E+01 FDA std-of-care DNA alkylator; organoplatinum reagent Selleck S1224 O=C1O[Pt]2(NC3CCCCC3N2)OC1=O +375594 NSC632839 BRD-K37392901 3.30E+01 probe pilot-set USP13;USP5 inhibitor of ubiquitin isopeptidase Cc1ccc(C=C2CNCC(=Cc3ccc(C)cc3)C2=O)cc1 +375596 pifithrin-mu BRD-K96799727 3.30E+01 probe pilot-set HSPA1A;HSPA1B;HSPA1L;TP53 inhibitor of p53 binding to mitochondria; inhibitor of HSP70 Sigma-Aldrich P0122 NS(=O)(=O)C#Cc1ccccc1 +375637 SN-38 BRD-A36630025 1.30E+00 probe pilot-set TOP1 metabolite of irinotecan; inhibitor of topoisomerase I Tocris Bioscience 2684 CCc1c2Cn3c(cc4c(COC(=O)C4(O)CC)c3=O)-c2nc2ccc(O)cc12 +376307 BRD-K80183349 BRD-K80183349 6.60E+01 probe chromatin;outreach HDAC1;HDAC2 inhibitor of HDAC1 and HDAC2 Stanley Center for Psychiatric Research at the Broad Institute CC(=O)N1CCC(CC1)C(=O)Nc1cc(ccc1N)-c1cccs1 +376693 BRD-K66532283 BRD-K66532283 6.60E+01 probe chromatin;outreach HDAC1;HDAC2 inhibitor of HDAC1 and HDAC2 Stanley Center for Psychiatric Research at the Broad Institute Nc1ccc(cc1NC(=O)C1=CCCC1)-c1cccs1 +377381 MK-2206 BRD-K68065987 3.30E+01 clinical chromatin;CTEP;kinome;pilot-set AKT1 inhibitor of AKT1 Selleck S1078 NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 +385240 triazolothiadiazine BRD-K05402890 6.60E+01 probe pilot-set PDE4A;PDE4B;PDE4D inhibitor of phosphdiesterase 4A/B/D WuXi AppTec TH02420-017 COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 +387472 BRD-K66453893 BRD-K66453893 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC1=O +389297 BRD-K11533227 BRD-K11533227 6.60E+01 probe chromatin;outreach HDAC1;HDAC2 inhibitor of HDAC1 and HDAC2 Stanley Center for Psychiatric Research at the Broad Institute CC(=O)NC1CCN(CC1)C(=O)Nc1cc(ccc1N)-c1cccs1 +397964 BRD-K27224038 BRD-K27224038 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCOCC2)Oc2ncc(cc2C1=O)C#CC1(O)CCCC1 +401251 BRD-K33514849 BRD-K33514849 3.40E+01 probe outreach screening hit Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc2cc(ccc2S1(=O)=O)C#Cc1ccncc1 +402775 BRD-K14844214 BRD-K14844214 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CC(C)CC#Cc1ccc2c(O[C@@H](CN(C)C(=O)c3cnccn3)[C@H](C)CN([C@H](C)CO)S2(=O)=O)c1 +404070 BRD1835 BRD-K62801835 1.30E+02 probe chromatin;DOS;outreach EZH2 product of diversity oriented synthesis; screening hit Broad Institute of MIT and Harvard C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(O)=O)Oc2cc(ccc2S1(=O)=O)C#CCC1CCCC1 +404452 BRD-K41597374 BRD-K41597374 6.70E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2cc(ccc2S1(=O)=O)C#CC1CCCC1 +404566 BRD-K63431240 BRD-K63431240 6.60E+01 probe DOS;outreach product of diversity oriented synthesis; screening hit Broad Institute of MIT and Harvard C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc2cc(ccc2S1(=O)=O)C#Cc1ccncc1 +410270 BRD-K13999467 BRD-K13999467 6.70E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccncc2)Oc2cc(ccc2S1(=O)=O)C#Cc1ccccc1F +410703 BRD-K96970199 BRD-K96970199 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C\C=C\c1ccc2c(O[C@@H](CN(C)C(=O)c3ccccc3)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O)c1 +411714 brefeldin A BRD-A31107743 3.70E+01 probe pilot-set ARF1 modulator of ADP-ribosylation factor 1; inhibitor of protein translocation from ER to Golgi ChemBridge Corporation 6908419 CC1CCC\C=C/C2CC(O)CC2C(O)\C=C/C(=O)O1 +411716 AGK-2 BRD-K32536677 3.30E+01 probe chromatin;pilot-set SIRT2 inhibitor of sirtuin 2 ChemBridge Corporation;Tocris Bioscience 5857140;3233 Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 +411717 L-685458 BRD-K87317732 3.70E+01 probe pilot-set APH1A;NCSTN;PSEN1;PSENEN inhibitor of gamma-secretase Sigma-Aldrich L1790 CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O +411719 PF-750 BRD-K83213911 2.70E+02 probe pilot-set FAAH inhibitor of fatty acid amide hydrolase Cayman 10010908 O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1 +411720 triptolide BRD-A13122391 3.00E-01 clinical pilot-set natural product; inhibitor of RNA polymerase II Sigma-Aldrich T3652 CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3CC3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O +411722 nutlin-3 BRD-A12230535 1.50E+02 clinical pilot-set MDM2 inhibitor of p53-MDM2 interaction Selleck S1061 COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 +411724 AA-COCF3 BRD-K07303502 2.70E+02 probe pilot-set FAAH;PLA2G4A;PLA2G4B;PLA2G4C;PLA2G4D inhibitor of cytosolic phospholipase A2; inhibitor of fatty acid amide hydrolase Cayman 62120 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F +411726 16-beta-bromoandrosterone BRD-K98404142 3.70E+01 probe pilot-set dehydroepiandrosterone (DHEA) analog Sigma-Aldrich B9392 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1C[C@H](Br)C2=O +411727 PRL-3 inhibitor I BRD-K09907482 1.30E+02 probe pilot-set PTP4A3 inhibitor of phosphatase of regenerating liver-3 (PRL3) Sigma-Aldrich;EMD Biosciences P0108;539808 Brc1ccc(OCc2ccccc2Br)c(\C=C2\SC(=S)NC2=O)c1 +411731 SID 26681509 BRD-K08417745 3.00E+02 probe pilot-set CTSL1 inhibitor of cathepsin L Tocris Bioscience 3625 CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C +411733 neuronal differentiation inducer III BRD-K53903639 2.70E+02 probe chromatin;pilot-set induction of rat HCN cell differentiation as judged by induction of neuronal reporter neuroD activity EMD Biosciences BRD3639 O=C(NC1CC1)c1cc(on1)-c1cccs1 +411734 NSC 74859 BRD-K40853697 5.30E+02 probe chromatin;pilot-set STAT3 inhibitor of STAT3 Selleck S1155 Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1 +411737 bortezomib BRD-K88510285 1.30E-01 FDA CTEP;pilot-set;std-of-care PSMB1;PSMB2;PSMB5;PSMD1;PSMD2 inhibitor of 26S proteasome Toronto Research Chemicals;Selleck B675700;S1013 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O +411738 ABT-737 BRD-K56301217 3.70E+01 clinical pilot-set BCL2;BCL2L1;BCL2L2 inhibitor of BCL2, BCL-xL, and BCL-W Toronto Research Chemicals A112550 CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 +411739 zebularine BRD-A01145011 5.90E+02 probe chromatin;pilot-set DNMT1 inhibitor of DNA methyltransferases Tocris Bioscience 2293 OC[C@H]1O[C@H](C(O)[C@H]1O)n1cccnc1=O +411742 PI-103 BRD-K67868012 3.70E+01 probe kinome;pilot-set MTOR;PIK3CA;PIK3CB;PIK3CD;PIK3CG;PRKDC inhibitor of DNA-PK, PI3K p110 delta, mTORC1, and catalytic subunits of PI3K Tocris Bioscience 2930 Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 +411749 tubastatin A BRD-K00627859 3.30E+01 probe chromatin;pilot-set HDAC6 inhibitor of tubulin deacetylase activity of HDAC6 Stanley Center for Psychiatric Research at the Broad Institute CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO +411770 SR-II-138A BRD-K11172604 3.30E+01 probe pilot-set EIF4A2;EIF4E;EIF4G1 silvestrol analog; inhibits translation by modulating the eIF4F complex Boston University CON(C)C(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC +411774 neopeltolide BRD-K62479592 3.30E+01 probe pilot-set inhibitor of cellular respiration Boston University CCC[C@H]1C[C@H](C[C@H](C)C[C@@H]2C[C@H](C[C@H](CC(=O)O1)O2)OC(=O)\C=C/CCc1coc(\C=C/CNC(=O)OC)n1)OC +411792 parthenolide BRD-K81651477 6.60E+01 probe pilot-set natural product; modulator of ROS; modulator of NF-kappa-B signaling Tocris Bioscience;Tocris Bioscience 607;0610 C\C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 +411805 Compound 7d-cis BRD-K61829047 3.30E+01 probe pilot-set XPO1 inhibitor of CRM1-mediated nucleocytoplasmic transport WuXi AppTec TH02330-015-1 CCOC(=O)\C=C/n1nnc(n1)-c1cccc(Cl)c1 +411808 TG-101348 BRD-K12502280 3.70E+01 clinical kinome;pilot-set JAK2 inhibitor of Janus kinase 2 Selleck S2736 Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C +411809 pevonedistat BRD-K67844266 3.70E+01 clinical pilot-set NAE1 inhibitor of Nedd-8 activating enzyme WuXi AppTec TH02333-012 NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12 +411814 AZD7545 BRD-K52836380 7.40E+01 probe kinome;pilot-set PDK2 inhibitor of pyruvate dehydrogenase kinase 2 WuXi AppTec;WuXi AppTec TH02357-029-A;TH02357-029-B CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 +411815 VER-155008 BRD-K32330832 3.70E+01 probe pilot-set HSPA1A;HSPA1B;HSPA1L inhibitor of HSP70 WuXi AppTec TH02357-035 Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 +411816 ML203 BRD-K80672993 3.70E+01 probe pilot-set PKM activator of muscle pyruvate kinase (PKM2) WuXi AppTec TH02357-061 Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1 +411820 SRT-1720 BRD-K53855319 3.70E+01 probe chromatin;pilot-set SIRT1 activator of sirtuin-1 WuXi AppTec TH02370-053 O=C(Nc1cc(CN2CCNCC2)cc(c1)-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1 +411824 CAY10594 BRD-K61662457 6.60E+01 probe pilot-set PLD2 inhibitor of phospholipase D2 Cayman 13207 O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2c1 +411827 Compound 1541A BRD-K30064966 3.70E+01 probe pilot-set CASP3;CASP6;CASP7 activators of executioner procaspases 3, 6, and 7 WuXi AppTec TH02435-020-1 Oc1cccc2cc(C(=O)Nc3cccc(c3)-c3cn4ccccc4n3)c(=O)oc12 +411831 RG-108 BRD-K89391146 2.70E+02 probe pilot-set DNMT1 inhibitor of DNA methyltransferase Cayman 13302 OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O +411832 PAC-1 BRD-K92991072 3.30E+01 probe pilot-set CASP3 activator of procaspase-3 Tocris Bioscience 2581 Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 +411833 pluripotin BRD-K98538768 3.30E+01 probe pilot-set MAPK1;RASAL1 promoter of embryonic stem cell self-renewal; inhibitor of Ras-GAP and ERK Cayman 10009557 CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C +411843 GMX-1778 BRD-K47335880 3.00E-01 clinical pilot-set NAMPT inhibitor of nicotinamide phosphoribosyltransferase WuXi AppTec;Cayman TH-2360-010-1;11021 Clc1ccc(OCCCCCC\N=C(\NC#N)Nc2ccncc2)cc1 +411856 avrainvillamide BRD-K10466330 3.30E+01 probe pilot-set NPM1 natural product; inhibitor of nucleophosmin Harvard University CC1(C)Oc2ccc3C4=C[C@@]56NC(=O)[C@]7(CCCN7C5=O)C[C@H]6C(C)(C)C4=[N+]([O-])c3c2C=C1 +411859 BMS-536924 BRD-K34581968 3.70E+01 probe pilot-set IGF1R;INSR inhibitor of insulin-like growth factor 1 receptor (IGF1R) and insulin receptor (INSR) Selleck S1012 Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 +411863 gemcitabine BRD-K15108141 3.30E+01 FDA pilot-set;std-of-care CMPK1;RRM1;TYMS inhibitor of DNA replication; inhibitor of ribonucleotide reductase, thymidylate synthetase, and cytidine monophosphate (UMP-CMP) kinase Selleck S1714 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 +411865 MST-312 BRD-K19894101 3.30E+01 probe chromatin;pilot-set TERT inhibitor of telomerase reverse transcriptase Sigma-Aldrich M3949 Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O +411867 olaparib BRD-K02113016 1.50E+02 clinical chromatin;pilot-set PARP1;PARP2 inhibitor of poly (ADP-ribose) polymerase 1 and 2 Selleck S1060 Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 +411869 oligomycin A BRD-A81541225 3.30E+01 probe pilot-set ATP5L2 inhibitor of mitochondrial ATP synthase Sigma-Aldrich 75351 CCC1CCC2OC3(CC[C@@H](C)C(C[C@H](C)O)O3)[C@H](C)C(OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C +411874 indisulam BRD-K17610631 3.30E+01 clinical chromatin;pilot-set CA9 inhibitor of carbonic anhydrase isoform IX MedKoo Biosciences NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 +414479 BRD-K49290616 BRD-K49290616 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard OC[C@@H]1O[C@@H](CC(=O)NCc2ccncn2)CC[C@H]1NC(=O)c1ccc(F)cc1 +415688 BRD-K02492147 BRD-K02492147 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CN1CCN(CC1)C(=O)C[C@@H]1O[C@H](CO)[C@@H](NS(=O)(=O)c2cccc(F)c2)C=C1 +416775 austocystin D BRD-K25987073 3.70E+01 probe pilot-set natural product; inducer of DNA damage Harvard Medical School CC(C)(O)CCc1ccc(O)c2c1oc1cc3O[C@H]4OC=C[C@@]4(O)c3c(O)c1c2=O +416777 SJ-172550 BRD-K93095519 3.30E+01 probe pilot-set MDM2;TP53 inhibitor of p53-MDM2 interaction Tocris Bioscience 3929 CCOc1cc(cc(Cl)c1OCC(=O)OC)\C=C1C(=O)N(N=C/1C)c1ccccc1 +416842 BRD-K09587429 BRD-K09587429 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 +417098 pandacostat BRD-K44741158 3.30E+01 probe chromatin;pilot-set HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 Harvard Medical School ONC(=O)\C=C\c1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O +417262 BRD-K96431673 BRD-K96431673 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CN1CCN(CC1)C(=O)C[C@H]1CC[C@H](NC(=O)c2ccc3OCOc3c2)[C@@H](CO)O1 +417415 cyanoquinoline 11 BRD-K00088062 1.30E+02 clinical kinome;pilot-set MAP3K8 inhibitor of MAP3K8; inhibitor of phosphorylated EGFR in cells WuXi AppTec TH02434-056 Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl +417416 tipifarnib-P2 BRD-K62965247 3.30E+01 probe pilot-set FNTA inhibitor of farnesyltransferase WuXi AppTec TH02436-025 - P2 Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 +417417 tipifarnib-P1 BRD-K63195589 3.30E+01 clinical pilot-set FNTA inhibitor of farnesyltransferase WuXi AppTec;Selleck TH02436-025 - P1;S1453 Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 +417451 Compound 23 citrate BRD-K67112618 3.30E+01 probe pilot-set analog of natural product cortistatin Harvard University CN(C)[C@H]1CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC=C(c5ccc6cnccc6c5)[C@@]4(C)CC[C@H]23)C1 +417452 nakiterpiosin BRD-K38264551 3.30E+01 probe pilot-set natural product; inhibitor of microtubule assembly University of Texas, Southwestern C[C@H]1C[C@@H](OC1=O)[C@@H](O)[C@@H](C(Cl)Cl)c1ccc2[C@@H]3C[C@@H](Br)[C@]45O[C@H](C[C@]4(C)[C@H]3C(=O)c2c1C)CO[C@H]5O +417663 CCT036477 BRD-A22997170 3.30E+01 probe pilot-set inhibitor of WNT signaling by blocking beta-catenin transcription Sigma-Aldrich SML0151 Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(Cl)cc1 +417818 tamatinib BRD-K20285085 3.30E+01 clinical CTEP;kinome;pilot-set SYK inhibitor of spleen tyrosine kinase Selleck S2194 COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC +417977 myriocin BRD-A76279427 3.30E+01 probe pilot-set SPTLC1;SPTLC2;SPTLC3 inhibitor of serine palmitoyltransferase Sigma-Aldrich M1177 CCCCCCC(=O)CCCCCC\C=C\C[C@H](O)[C@@H](O)C(N)(CO)C(O)=O +417979 YM-155 BRD-K76703230 1.00E+00 clinical pilot-set BIRC5 inhibitor of survivin expression Active Biochem A-1061 COCCn1c2c(C(=O)c3ccccc3C2=O)[n+](Cc2cnccn2)c1C +417981 BMS-754807 BRD-K13049116 3.30E+01 probe pilot-set IGF1R inhibitor of insulin-like growth factor 1 receptor and insulin receptor Active Biochem A-1013 C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 +417982 BIBR-1532 BRD-K04623885 2.70E+02 probe chromatin;pilot-set TERT inhibitor of telomerase reverse transcriptase Selleck S1186 C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1 +417987 tosedostat BRD-K92241597 2.70E+02 clinical pilot-set ANPEP;LAP3;NPEPPS inhibitor of leucine aminopeptidase 3 (LAP), puromycin-sensitive aminopeptidase (PuSA), and aminopeptidase N Selleck S1522 CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 +418038 neratinib BRD-K85606544 3.30E+01 clinical kinome;pilot-set EGFR;ERBB2 inhibitor of EGFR and HER2 WuXi AppTec HKI-272 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C +418162 BRD1812 BRD-K73261812 6.60E+01 probe pilot-set screening hit ChemPacific 46704 Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc2ccccc2)cc1 +418163 BRD8958 BRD-K68548958 6.60E+01 probe chromatin;pilot-set EP300 inhibitor of E1A binding protein p300 Princeton BioMolecular Research OSSK_701387 CC1=NN(C(=O)C\1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O +418164 serdemetan BRD-K60219430 3.30E+01 clinical pilot-set MDM2 inhibitor of MDM2 Axon Medchem 1538 C(Cc1c[nH]c2ccccc12)Nc1cccc(Nc2ccncc2)c1 +418166 daporinad BRD-K58550667 2.00E+00 clinical pilot-set NAMPT inhibitor of nicotinamide phosphoribosyltransferase Axon Medchem;Cayman 1279;13287 O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 +418167 MK-1775 BRD-K54256913 3.30E+01 clinical CTEP;kinome;pilot-set WEE1 inhibitor of WEE1 Axon Medchem 1494 CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 +418170 tivozanib BRD-K53414658 3.30E+01 clinical pilot-set FLT1;FLT3;KDR inhibitor of VEGFRs Selleck S1207 COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC +418172 Ko-143 BRD-K64642496 1.30E+02 probe pilot-set ABCG2 inhibitor of breast cancer resistance protein multidrug transporter (BCRP) Sigma-Aldrich K2144 COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O +418209 CR-1-31B BRD-K23547378 3.30E+01 probe pilot-set EIF4A2;EIF4E;EIF4G1 silvestrol analog; inhibits translation by modulating the eIF4F complex Boston University CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC +425733 BRD-K71781559 BRD-K71781559 6.60E+01 probe outreach screening hit National Cancer Institute Chemotherapeutic Agents Repository OC(=O)c1ccc(NCc2nc3cc4ccccc4cc3[nH]2)cc1 +429535 BRD-K86535717 BRD-K86535717 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)[C@H](CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2)OC +431987 BRD-K48334597 BRD-K48334597 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O +434195 ML312 BRD-K70809902 6.60E+01 probe MLPCN;outreach SCARB1 inhibitor of scavenger receptor class B, member 1 (SCARB1)-mediated lipid uptake Broad Institute of MIT and Harvard CC(C)NC(=O)Nc1ccc2O[C@@H](CN(C)S(=O)(=O)c3ccc(Cl)cc3)[C@H](C)CN([C@H](C)CO)C(=O)c2c1 +435086 BRD-K04800985 BRD-K04800985 6.70E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C1=O +435898 BRD-K78574327 BRD-K78574327 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C1=O +436211 BRD-K19103580 BRD-K19103580 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(cc2C1=O)N(C)C +437263 BRD-K30019337 BRD-K30019337 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(cc2C(=O)N(C[C@H]1C)[C@H](C)CO)N(C)C +437906 BRD-K84807411 BRD-K84807411 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)Oc2c(NC(=O)c3cc(C)nn3C)cccc2C1=O +438345 BRD-K01737880 BRD-K01737880 6.60E+01 probe outreach screening hit Broad Institute of MIT and Harvard COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)Cc4ccc5OCOc5c4)[C@@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1 +438564 BRD-K44224150 BRD-K44224150 3.40E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CNC[C@@H]1Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N(C[C@@H]1C)[C@@H](C)CO +438691 BRD-K75293299 BRD-K75293299 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2c(NC(=O)c3ccncc3)cccc2C1=O +438776 BRD-K64610608 BRD-K64610608 3.30E+01 probe DOS;outreach product of diversity oriented synthesis; screening hit Broad Institute of MIT and Harvard COc1ccc(cc1)S(=O)(=O)N(C)C[C@@H]1Oc2c(NC(=O)Nc3cccc4ccccc34)cccc2C(=O)N(C[C@H]1C)[C@@H](C)CO +439882 BRD-K09344309 BRD-K09344309 3.30E+01 probe DOS;outreach screening hit Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3OCOc3c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O +442141 BRD-K02251932 BRD-K02251932 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O +444779 BRD-K55116708 BRD-K55116708 6.60E+01 probe DOS;outreach product of diversity oriented synthesis; inhibitor of leukemic stem cells Broad Institute of MIT and Harvard C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc2ccccc2N)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O +446546 BRD-K41334119 BRD-K41334119 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C[C@@H]1C)[C@H](C)CO +446716 BRD-K34485477 BRD-K34485477 3.30E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CNC[C@@H]1Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC(=O)N(C[C@@H]1C)[C@H](C)CO +447732 BRD-K16147474 BRD-K16147474 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CC(C)NC(=O)Nc1ccc2O[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@H](C)CO)C(=O)Cc2c1 +448891 BRD-K29086754 BRD-K29086754 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(O)=O)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O +449707 BRD-K33199242 BRD-K33199242 6.70E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CNC[C@@H]1Oc2ccc(cc2CC(=O)N(C[C@@H]1C)[C@@H](C)CO)N(C)C +450415 BRD-K52037352 BRD-K52037352 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O +452570 BRD-K27986637 BRD-K27986637 6.60E+01 probe DOS;outreach product of diversity oriented synthesis; screening hit Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3OCCOc3c2)OCc2cn(CCCC1=O)nn2 +463198 BRD-K37390332 BRD-K37390332 3.30E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O +464458 tandutinib BRD-K89162000 6.60E+01 clinical CTEP;kinome FLT3;KIT inhibitor of c-KIT and VEGFR3 Selleck S1043 COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 +464880 fulvestrant BRD-A85667082 6.60E+01 FDA std-of-care ESR1;GPER1 antagonist of the estrogen receptor Selleck S1191 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 +467037 bafilomycin A1 BRD-K86787118 3.30E-01 probe outreach ATP6V0A1 inhibitor of the vacuolar-type H+-ATPase EMD Biosciences BML-CM110-0100 CO[C@H]1\C=C\C=C(C)\C[C@@H](C)[C@H](O)[C@H](C)\C=C(C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@H]1C[C@@H](O)[C@H](C)[C@H](O1)C(C)C +478694 isonicotinohydroxamic acid BRD-K55478147 3.30E+01 probe chromatin;lit-search;outreach HDAC6 inhibitor of HDAC6 Stanley Center for Psychiatric Research at the Broad Institute ONC(=O)c1ccncc1 +481311 HLI 373 BRD-K17349619 3.30E+01 probe pilot-set MDM2 inhibitor of MDM2 Tocris Bioscience 3503 CN(C)CCCNc1c2ccccc2n(C)c2nc(=O)n(C)c(=O)c12 +580922 NSC19630 BRD-K39706510 6.60E+01 probe lit-search WRN inhibitor of Werner syndrome helicase activity EMD Biosciences 681467 CCC(=O)OCN1C(=O)C=CC1=O +594399 NSC48300 BRD-K45748132 6.60E+01 probe outreach TASP1 inhibitor of threonine endopeptidase taspase 1 National Cancer Institute Chemotherapeutic Agents Repository O[As](O)(=O)c1ccc(Cc2ccc(cc2)[As](O)(O)=O)cc1 +594663 PRIMA-1-Met BRD-K49456190 3.30E+01 probe pilot-set TP53 re-activator of the pro-apoptotic activity of mutant p53 Tocris Bioscience 3710 COC[C@]1(CO)[N@@]2CC[C@@H](CC2)C1=O +594664 isoevodiamine BRD-A68631409 3.30E+01 probe pilot-set natural product Sigma-Aldrich E3531 CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 +594665 UNC0638 BRD-K86856088 3.30E+01 probe chromatin;lit-search;pilot-set EHMT1;EHMT2 inhibitor of EHMT2 and GLP methyltransferase Tocris Bioscience 4343 COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 +595102 cucurbitacin I BRD-A28105619 3.30E+01 probe chromatin;outreach natural product; modulator of NFKB1 and STAT3 signaling Tocris Bioscience 1571 CC(C)(O)\C=C\C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C +596868 BRD-K50799972 BRD-K50799972 6.60E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard COc1ccccc1-c1cccc(c1)-c1nc(cc2CN([C@@H](CCO)c12)[S@@](=O)C(C)(C)C)C(=O)NCc1ccncc1 +600054 BRD-K17060750 BRD-K17060750 6.70E+01 GE-active DOS;profiling product of diversity oriented synthesis Broad Institute of MIT and Harvard CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@H]1CO +601923 barasertib BRD-K63923597 6.60E+01 clinical kinome AURKB inhibitor of aurora kinase B Selleck S1147 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 +606033 linifanib BRD-K99749624 6.60E+01 clinical kinome FLT1;FLT3;KDR inhibitor of VEGFRs Selleck S1003 Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 +606034 veliparib BRD-K87142802 3.30E+01 clinical chromatin;CTEP;pilot-set PARP1;PARP2 inhibitor of poly (ADP-ribose) polymerase 1 (PARP1) and 2 (PARP2) Selleck S1004 C[C@@]1(CCCN1)c1nc2c(cccc2[nH]1)C(N)=O +606035 saracatinib BRD-K19540840 6.60E+01 clinical CTEP;kinome ABL1;SRC inhibitor of SRC and ABL1 Selleck S1006 CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 +606135 afatinib BRD-K66175015 6.60E+01 clinical kinome EGFR;ERBB2 inhibitor of EGFR and HER2 Selleck S1011 CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 +606136 cediranib BRD-K86930074 6.60E+01 clinical CTEP;kinome FLT1;FLT4;KDR inhibitor of VEGFRs Selleck S1017 COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 +606138 canertinib BRD-K50168500 6.60E+01 clinical kinome EGFR;ERBB2 inhibitor of EGFR and HER2 Selleck S1019 Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl +606142 obatoclax BRD-K15600710 6.60E+01 clinical CTEP BCL2;BCL2L1;MCL1 inhibitor of MCL1, BCL2, and BCL-xL Selleck S1057 COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 +606143 masitinib BRD-K71035033 6.60E+01 clinical kinome KIT;PDGFRA;PDGFRB inhibitor of c-KIT, PDGFRA, and PDGFRB Selleck S1064 CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1 +606144 ZSTK474 BRD-K63068307 6.60E+01 clinical kinome PIK3CB;PIK3CD;PIK3CG inhibitor of PI3K catalytic subunits beta, delta, and gamma Selleck S1072 FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 +606246 brivanib BRD-K28428262 6.60E+01 clinical lit-search FLT1;KDR inhibitor of VEGFR 1/2 Selleck S1084 C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C +606248 GDC-0879 BRD-K67578145 6.60E+01 probe kinome BRAF inhibitor of BRAF Selleck S1104 OCCn1cc(c(n1)-c1ccncc1)-c1ccc2c(CC\C2=N/O)c1 +606249 NVP-TAE684 BRD-K50140147 6.60E+01 probe kinome ALK inhibitor of ALK and ALK-NPM fusion protein Selleck S1108 COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 +606254 SNS-032 BRD-K43389698 6.60E+01 clinical chromatin;kinome;lit-search CDK16;CDK17;CDK2;CDK7;CDK9;CDKL5 inhibitor of cyclin-dependent kinases Selleck S1145 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 +606256 PLX-4720 BRD-K16478699 3.30E+01 probe kinome BRAF inhibitor of BRAF Selleck S1152 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F +606356 TGX-221 BRD-A41692738 6.60E+01 probe kinome PIK3CB inhibitor of PI3K catalytic subunit beta Selleck S1169 CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 +606363 KU-0063794 BRD-K67566344 6.60E+01 probe kinome MTOR inhibitor of mTOR Selleck S1226 COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 +606470 TG-100-115 BRD-K64785675 6.60E+01 clinical kinome PIK3CD;PIK3CG inhibitor of PI3K catalytic subunits delta and gamma Selleck S1352 Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1 +606471 GSK1059615 BRD-K06750613 3.30E+01 clinical kinome MTOR;PIK3CA;PIK3CB;PIK3CD;PIK3CG inhibitor of PI3K and mTOR kinase activity Selleck S1360 O=C1NC(=O)\C(S1)=C\c1ccc2nccc(-c3ccncc3)c2c1 +606586 SU11274 BRD-K02965346 6.60E+01 probe kinome MET inhibitor of MET Selleck S1080 CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1 +606670 BRD-K88742110 BRD-K88742110 6.60E+01 probe chromatin;outreach HDAC8 inhibitor of HDAC8 Stanley Center for Psychiatric Research at the Broad Institute COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 +607696 LRRK2-IN-1 BRD-K01436366 6.60E+01 probe kinome DCLK1;LRRK2 inhibitor of leucine-rich repeat kinase 2; inhibitor of doublecortin-like kinase EMD Biosciences 438193 COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 +608062 BRD8899 BRD-K22828899 3.30E+01 probe lit-search;synthesis STK33 inhibitor of serine/threonine kinasase STK33 Broad Institute of MIT and Harvard CC(=O)NC[C@@H]1C[C@H](CN1)NS(=O)(=O)c1cccc2cncc(C)c12 +608999 EX-527 BRD-K76964878 8.00E+01 clinical chromatin;pilot-set SIRT1 inhibitor of sirtuin 1 Selleck S1541 NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 +609056 ELCPK BRD-K44847641 4.00E-01 probe pilot-set screening hit ChemDiv Inc. G408-2080 O=S(=O)(N1CCCc2ccccc12)c1ccc(cc1)-c1cnc(o1)C1CC1 +609058 NPC-26 BRD-K36852164 4.00E+01 probe pilot-set induces cell death through a non-apoptotic, mitochondrial-dependent mechanism Columbia University CCOC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2c1CC(C)(C)NC2(C)C +609060 1S,3R-RSL-3 BRD-K23853216 3.30E+01 probe pilot-set GPX4 synthetic lethal with HRAS in engineered cells; inhibitor of GPX4 Columbia University COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c1ccc(cc1)C(=O)OC +609061 CIL55A BRD-K69982010 8.00E+01 probe pilot-set screening hit Columbia University CN(C)CCNC(=O)c1cc2CSc3ccc(Cl)cc3-c2s1 +609062 SCH-529074 BRD-K24376488 3.30E+01 probe pilot-set TP53 activator of mutant p53 Broad Institute of MIT and Harvard CN(C)CCCNc1nc(CN2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nc2ccccc12 +609063 StemRegenin 1 BRD-K36739687 6.60E+01 probe chromatin;lit-search;outreach AHR inhibitor of aryl hydrocarbon receptor BioVision 1967-5 CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)-c1csc2ccccc12 +609091 FQI-2 BRD-K35498412 3.30E+01 probe chromatin;pilot-set inhibitor of LSF1-mediated transcription Boston University CCOc1ccccc1-c1cc(=O)[nH]c2cc3OCOc3cc12 +609110 ML210 BRD-K01877528 3.30E+01 probe pilot-set selectively kills engineered cells expressing mutant HRAS Broad Institute of MIT and Harvard Cc1onc(C(=O)N2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1[N+]([O-])=O +609121 darinaparsin BRD-K35723520 3.30E+01 clinical pilot-set inducer of ROS; inhibitor of microtubule assembly Sigma-Aldrich D2071 C[As](C)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O +609124 PX-12 BRD-A56592690 1.00E+02 clinical pilot-set TXN inhibitor of thioredoxin-1 Sigma-Aldrich M5324 CCC(C)SSc1ncc[nH]1 +609332 GANT-61 BRD-K09485525 6.60E+01 probe chromatin;lit-search inhibitor of hedgehog signaling pathway Tocris Bioscience 3191 CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1 +609440 PL-DI BRD-K83336168 6.60E+01 probe pilot-set dimer of piperlongumine; inducer of ROS Broad Institute of MIT and Harvard COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OCCN(C)CCOc1c(OC)cc(\C=C\C(=O)N2CCC=CC2=O)cc1OC +609596 TW-37 BRD-K28360340 3.30E+01 probe pilot-set BCL2;BCL2L1 inhibitor of BCL2 and BCL-xL Tocris Bioscience 4038 CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O +609639 AZD8055 BRD-K69932463 6.60E+01 clinical kinome MTOR inhibitor of mTOR Selleck S1555 COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C +609674 CHM-1 BRD-K94145482 1.60E+01 probe pilot-set inhibitor of tubulin polymerization Tocris Bioscience 3868 Fc1ccccc1-c1cc(=O)c2cc3OCOc3cc2[nH]1 +609681 QS-11 BRD-K02526760 3.30E+01 probe pilot-set ARFGAP1 inhibitor of GTPase activating protein of ARF 1 (ARFGAP1) Tocris Bioscience 3324 OC[C@H](Cc1ccccc1)Nc1nc(Oc2ccc3CCCc3c2)nc2n(Cc3ccc(cc3)-c3ccccc3)cnc12 +609781 ML239 BRD-K01121114 6.60E+01 probe MLPCN;outreach ML239; inhibitor of breast cancer stem cell proliferation Broad Institute of MIT and Harvard Clc1cc(Cl)c(OCC(=O)N\N=C\c2ccc[nH]2)c(Cl)c1 +616352 salermide BRD-A67788537 4.00E+02 probe chromatin;lit-search;pilot-set SIRT1;SIRT2 inhibitor of sirtuin 1 and sirtuin 2 Cayman 13178 CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 +616353 fumonisin B1 BRD-A63646118 5.00E+02 probe pilot-set CERS1;CERS2;CERS3;CERS4;CERS5;CERS6 inhibitor of ceramide synthase Cayman 62580 CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](CC(C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(O)=O)C(O)=O +616354 JQ-1 BRD-K54606188 6.60E+01 probe chromatin;lit-search;pilot-set BRDT inhibitor of bromodomain (BRD) and extra-C terminal domain (BET) proteins Dana Farber Cancer Institute Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1 +616355 BRD-K51490254 BRD-K51490254 6.60E+01 probe chromatin;outreach HDAC6;HDAC8 inhibitor of HDAC6 and HDAC8 Stanley Center for Psychiatric Research at the Broad Institute ONC(=O)c1cccc(c1)C(=O)Nc1ccccc1 +616408 BRD-K85133207 BRD-K85133207 6.60E+01 probe chromatin;outreach HDAC1 inhibitor of HDAC1 Stanley Center for Psychiatric Research at the Broad Institute CC(=O)N[C@H]1C[C@H](C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 +622911 BMS-345541 BRD-K13566078 6.60E+01 probe kinome IKBKB inhibitor of IKK-2 Axon Medchem Axon 1731 Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 +622913 CAY10576 BRD-K51781482 6.60E+01 probe kinome;outreach IKBKE inhibitor of IKK-epsilon Calbiochem 401488 COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC +628408 Repligen 136 BRD-K47503321 6.60E+01 probe chromatin;outreach HDAC3 inhibitor of HDAC3 Stanley Center for Psychiatric Research at the Broad Institute Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccc(F)cc1N +628601 nintedanib BRD-K49075727 6.60E+01 clinical kinome FGFR1;FGFR2;FGFR3;FLT1;FLT3;KDR;PDGFRA;PDGFRB inhibitor of c-KIT, VEGFRs, PDGFRs, and FGFRs Selleck S1010 COC(=O)c1ccc2c(NC(=O)\C2=C(/Nc2ccc(cc2)N(C)C(=O)CN2CCN(C)CC2)c2ccccc2)c1 +628603 crizotinib BRD-K78431006 6.60E+01 FDA kinome;std-of-care ALK;MET inhibitor of c-MET and ALK Selleck S1068 C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl +628607 foretinib BRD-K03449891 6.60E+01 clinical kinome KDR;MET inhibitor of MET and VEGFR2 Selleck S1111 COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 +628613 regorafenib BRD-K16730910 6.60E+01 FDA kinome BRAF;KDR;KIT;RET inhibitor of BRAF, RET, KIT, and VEGFR2 Selleck S1178 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 +628614 WZ8040 BRD-K81728688 6.60E+01 probe kinome EGFR inhibitor of EGFR targeting T790M resistance Selleck S1179 CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Sc3cccc(NC(=O)C=C)c3)n2)cc1 +628620 OSI-930 BRD-K25340465 6.60E+01 clinical kinome KDR;KIT inhibitor of c-KIT and VEGFR2 Selleck S1220 FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1 +628622 MGCD-265 BRD-K56277358 6.60E+01 clinical kinome FLT1;FLT3;KDR;MET inhibitor of c-MET and VEGFRs Selleck S1361 Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 +628639 lenvatinib BRD-K39974922 6.60E+01 FDA lit-search FLT1;FLT3;KDR;KIT;PDGFRA;PDGFRB inhibitor of VEGFRs, c-KIT, and PDGFR alpha and beta Selleck S1164 COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O +632103 YK 4-279 BRD-A62182663 3.30E+01 probe chromatin;pilot-set DHX9;ERG;ETV1 inhibitor of RNA helicase A (RHA) binding to EWS-FLI1; inhibitor of ERG and ETV1 activity Tocris Bioscience 4067 COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl +632104 CAY10618 BRD-K83289131 3.30E+01 probe pilot-set NAMPT inhibitor of nicotinamide phosphoribosyltransferase Cayman 13670 O=C(CCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1 +632119 KU 0060648 BRD-K09499853 3.30E+01 probe kinome;pilot-set PRKDC inhibitor of DNA-dependent protein kinase Axon Medchem 1584 CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 +632243 narciclasine BRD-K06792661 3.30E+01 probe pilot-set RHOA activates cellular activity of RhoA; modulator of Rho/Rho kinase/LIM kinase/cofilin signaling Sigma-Aldrich N9789 O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O +632873 MLN2238 BRD-K78659596 3.30E+01 clinical pilot-set PSMB5 inhibitor of 20S proteasome at the chymotrypsin-like proteolytic (beta-5) site Selleck S2180 CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O +632907 ISOX BRD-K69840642 3.30E+01 probe chromatin;pilot-set HDAC6 inhibitor of HDAC6 Axon Medchem;Axon Medchem Axon 1645;1645 CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO +634309 lapatinib BRD-K19687926 6.60E+01 FDA CTEP;kinome;std-of-care EGFR;ERBB2 inhibitor of EGFR and HER2 Selleck S1028 CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 +634814 BRD-K29313308 BRD-K29313308 6.60E+01 probe chromatin;outreach HDAC3 inhibitor of HDAC3 Stanley Center for Psychiatric Research at the Broad Institute CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N +635576 UNC0321 BRD-K74236984 3.30E+01 probe chromatin;pilot-set EHMT2 inhibitor of G9a histone methyltransferase Cayman 10582 COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1 +635882 SGX-523 BRD-K19477839 6.60E+01 clinical kinome MET inhibitor of MET Selleck S1112 Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1 +636425 erismodegib BRD-K19796430 3.30E+01 probe chromatin;pilot-set screening hit Selleck S2151 C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1 +636711 alisertib BRD-K75295174 6.60E+01 clinical CTEP;kinome AURKA;AURKB inhibitor of aurora kinases A and B Selleck S1133 COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O +639390 AZD6482 BRD-K58772419 6.60E+01 clinical kinome PIK3CB;PIK3CD inhibitor of PI3K catalytic subunits beta and delta Selleck S1462 C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 +639450 ruxolitinib BRD-K53972329 6.60E+01 FDA kinome;std-of-care JAK1;JAK2 inhibitor of Janus kinases 1 and 2 Selleck S1378 N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 +639531 bleomycin A2 BRD-A42083487 6.60E+01 FDA std-of-care inducer of DNA damage Selleck;Calbiochem S1214;203401-10MG C[C@@H](O)[C@@H](NC(=O)[C@H](C)[C@@H](O)[C@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@@H](N)C(N)=O)C(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1)C(=O)NCCc1nc(cs1)-c1nc(cs1)C(=O)NCCC[S+](C)C +639759 GDC-0941 BRD-K52911425 6.60E+01 clinical kinome PIK3CA;PIK3CB;PIK3CD;PIK3CG inhibitor of PI3K kinase activity Selleck S1065 CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 +639962 SB-525334 BRD-K37720887 6.60E+01 probe kinome TGFBR1 inhibitor of the transforming growth factor beta type 1 receptor Selleck S1476 Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2nccnc2c1)C(C)(C)C +640007 PHA-793887 BRD-K64800655 6.60E+01 clinical chromatin;kinome CDK1;CDK2;CDK4;CDK5;CDK7;CDK9 inhibitor of cyclin-dependent kinases Selleck S1487 CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C +640011 quizartinib BRD-K93918653 6.60E+01 clinical kinome FLT3 inhibtor of VEGFR3 Selleck S1526 CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 +640157 fingolimod BRD-K88025533 6.60E+01 FDA lit-search S1PR1 inhibitor of sphingosine 1-phosphate receptor Selleck S5002 CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 +640265 pazopanib BRD-K74514084 6.60E+01 FDA CTEP;kinome;std-of-care FLT1;FLT3;KDR;KIT;PDGFRB inhibitor of VEGFRs, c-KIT, and PDGFRB Selleck S1035 CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 +640366 WZ4002 BRD-K72420232 3.30E+01 probe kinome EGFR inhibitor of EGFR targeting T790M resistance Selleck S1173 COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 +641721 BRD-K24690302 BRD-K24690302 6.60E+01 probe chromatin;outreach HDAC1 inhibitor of HDAC1 Stanley Center for Psychiatric Research at the Broad Institute CN(C)CC1CN(C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 +648987 BRD-K70511574 BRD-K62825658 6.60E+01 probe kinome PLK1 inhibitor of polo-like kinase 1 (PLK1) Selleck S1485 COc1ccc(cc1)S(=O)(=O)N(C(=O)C)c2ccccc2C=Cc3cc[n+]([O-])cc3 +649420 PLX-4032 BRD-K56343971 3.30E+01 FDA kinome;pilot-set;std-of-care BRAF inhibitor of BRAF Selleck;Sequoia Research Products S1267;S1267 CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F +649754 BRD-K48477130 BRD-K48477130 6.60E+01 probe lit-search;synthesis screening hit Stanley Center for Psychiatric Research at the Broad Institute Cc1n[nH]c2NC3=C([C@@H](c12)c1ccccc1)C(=O)CC(C)(C)C3 +649862 GSK461364 BRD-K92428232 6.60E+01 clinical kinome PLK1 inhibitor of polo-like kinase 1 (PLK1) Selleck S2193 C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F +651298 YL54 BRD-K58306044 6.60E+01 probe outreach stapled helical peptide Harvard University CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O +651304 BRD-K20514654 BRD-K20514654 6.60E+01 probe outreach stapled helical peptide Harvard University CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O +651306 BRD-K55473186 BRD-K57252013 6.60E+01 probe outreach NOTCH1 stapled helical peptide targeting NOTCH1 Harvard University CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)CCNC(=O)C)C(=O)NC1(C)CCCC=CCCCC(C)(NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CC(C)C)NC1=O)C(=O)NC(Cc2c[nH]cn2)C(=O)NC(Cc3c[nH]cn3)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)N +651642 BRD-K28456706 BRD-K28456706 6.60E+01 probe chromatin;lit-search;synthesis HNF4A inhibitor of hepatocyte nuclear factor 4 alpha Broad Institute of MIT and Harvard Cc1c(oc2ccc3ccccc3c12)[N+]([O-])=O +652975 STF-31 BRD-K22477529 6.60E+01 probe lit-search;synthesis NAMPT inhibitor of nicotinamide phosphoribosyltransferase Broad Institute of MIT and Harvard CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1 +654278 ML334 diastereomer BRD-K93367411 1.30E+02 probe lit-search;synthesis KEAP1;NFE2L2 inhibitor of KEAP1-NFE2L2 protein-protein interaction Broad Institute of MIT and Harvard OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O +657183 spautin-1 BRD-K84964099 6.60E+01 probe lit-search USP10;USP13 inhibitor of the deubiquitinase activity of USP13 and USP10 Broad Institute of MIT and Harvard Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1 +659226 VAF-347 BRD-K96335988 6.60E+01 probe lit-search;synthesis AHR inhibitor of aryl hydrocarbon receptor Broad Institute of MIT and Harvard FC(F)(F)c1ccc(Nc2nccc(n2)-c2cccc(Cl)c2)cc1 +659371 BRD-A02303741 BRD-A02303741 5.50E+01 probe chromatin;lit-search;synthesis DOT1L inhibitor of histone methyltransferases Broad Institute of MIT and Harvard CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H](C(O)[C@H]1O)n1cnc2c(N)ncnc12 +659682 ML320 BRD-K81491172 6.60E+01 probe MLPCN;outreach GSK3B inhibitor of GSK3 beta Broad Institute of MIT and Harvard COc1ccccc1[C@H]1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F +659993 tigecycline BRD-A34462049 6.60E+01 FDA lit-search;outreach analog of tetracycline Selleck;Harvard University S1403 CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C +660064 BRD-K34099515 BRD-K34099515 6.60E+01 probe DOS;outreach screening hit Broad Institute of MIT and Harvard CC(C)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O +660073 PF-543 BRD-K79877282 3.30E+01 probe kinome SPHK1 inhibitor of sphingosine kinase-1 Pfizer Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 +660075 PF-573228 BRD-K79239947 6.60E+01 probe kinome PTK2 inhibitor of focal adhesion kinase Axon Medchem Axon 1623 CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 +660078 ceranib-2 BRD-K31514534 6.60E+01 probe lit-search ACER1;ACER2;ACER3;ASAH1;ASAH2;ASAH2B inhibitor of ceramidase activity Cayman 11092 COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1 +660079 FSC231 BRD-K24784241 2.70E+02 probe lit-search PICK1 inhibitor of PDZ domain of protein interacting with PRKCA 1 (PICK1) Specs AH-034/11366495 CCOC(=O)NC(=O)C(=C\c1ccc(Cl)c(Cl)c1)\C#N +660080 968 BRD-A43210826 6.60E+01 probe lit-search GLS inhibitor of glutaminase Specs AG-690/36107028 CN(C)c1ccc(cc1Br)C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 +660081 GSK4112 BRD-K78667050 6.60E+01 probe lit-search NR1D1 antagonist of Rev-ErbAalpha Tocris Bioscience 3663 CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1 +660082 etomoxir BRD-K81335284 3.00E+02 clinical pilot-set CPT1A inhibitor of carnitine palmitoyltransferase Sigma-Aldrich E1905 OC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1 +660083 HC-067047 BRD-K03391209 6.60E+01 probe lit-search TRPV4 inhibitor of cation channel TRPV4 Tocris Bioscience 4100 Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F +660084 IPR-456 BRD-A76527075 6.60E+01 probe lit-search;synthesis PLAUR inhibitor of the interaction of urokinase receptor with binding partners ChemDiv Inc. C090-0424 CC1CC(C)CN(C1)c1cc(Nc2ccccc2C(O)=O)c2C(=O)c3ccccc3-c3onc1c23 +660085 KH-CB19 BRD-K66430217 1.70E+01 probe kinome CLK1;CLK4 inhibitor of CDC2-like kinases 1 and 4 Tocris Bioscience 4262 CCOC(=O)c1c(C(=CN)C#N)c2ccc(Cl)c(Cl)c2n1C +660086 leptomycin B BRD-K27624156 6.60E+01 probe lit-search XPO1 inhibitor of exportin 1 LC Laboratories L-6100 CCC(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O +660087 AZ-3146 BRD-K59146805 6.60E+01 probe lit-search TTK inhibitor of TTK protein kinase Selleck S2731 COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1 +660119 VU0155056 BRD-K31406481 6.60E+01 probe lit-search PLD1;PLD2 inhibitor of phospholipase D1/D2 Avanti Polar Lipids, Inc. 857370P O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1 +660129 JQ-1:UNC0638 (2:1 mol/mol) BRD-M56714493 5.00E+01 probe combination BRDT;EHMT1;EHMT2 inhibitor of bromodomain (BRD) and extra-C terminal domain (BET) proteins;inhibitor of EHMT2 and GLP methyltransferase Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1.COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 +660130 carboplatin:UNC0638 (2:1 mol/mol) BRD-M18136176 5.00E+01 probe combination EHMT1;EHMT2 inducer of DNA damage;inhibitor of EHMT2 and GLP methyltransferase O=C1O[Pt]OC(=O)C11CCC1.COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 +660131 vorinostat:carboplatin (1:1 mol/mol) BRD-M09269305 6.60E+01 probe combination HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8;inducer of DNA damage O=C1O[Pt]OC(=O)C11CCC1.ONC(=O)CCCCCCC(=O)Nc1ccccc1 +660132 serdemetan:SCH-529074 (1:1 mol/mol) BRD-M28943608 3.30E+01 probe combination MDM2;TP53 inhibitor of MDM2;activator of mutant p53 C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccncc2)cc1.CN(C)CCCNc1nc(CN2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nc2ccccc12 +660133 selumetinib:PLX-4032 (8:1 mol/mol) BRD-M58862563 1.50E+02 probe combination MAP2K1;MAP2K2;BRAF inhibitor of MEK1 and MEK2;inhibitor of BRAF Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F +660134 sirolimus:bortezomib (250:1 mol/mol) BRD-M02488208 1.70E+01 probe combination MTOR;PSMB1;PSMB2;PSMB5;PSMD1;PSMD2 inhibitor of mTOR;inhibitor of 26S proteasome CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O.CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O +660135 BRD-K97651142 BRD-K97651142 6.60E+01 probe outreach aphrocallistin derivative Sanford-Burnham Medical Research Institute CN(CCc1cc(Br)c(OCCCNc2ncnc3n(C)cnc23)c(Br)c1)C(=O)c1ccc(C)cc1 +660136 vorapaxar BRD-K93442924 6.60E+01 clinical lit-search F2R antagonist of proteinase-activated receptor 1 (PAR1) Axon Medchem 1755 CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c2ccc(cn2)-c2cccc(F)c2)C1 +660137 Ch-55 BRD-K71487808 6.60E+01 probe chromatin;lit-search RARA;RARB;RARG agonist of retinoid acid receptors Axon Medchem 1241 CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)\C=C\c1ccc(cc1)C(O)=O +660139 BRD-K79669418 BRD-K79669418 6.60E+01 probe outreach MDM2;MDM4 inhibitor of MDM4-p53 interaction Dana Farber Cancer Institute CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@](C)(CCCCCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@@H](C)O +660140 BRD-K99584050 BRD-K99584050 6.60E+01 probe outreach stapled helical peptide Dana Farber Cancer Institute CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O +660145 BRD-A71883111 BRD-A71883111 3.30E+01 probe lit-search IDH1 putative inhibitor of IDH1 R132H Broad Institute of MIT and Harvard Fc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccccc1Cl)C(=O)Cc1cccs1 +660172 navitoclax:birinapant (1:1 mol/mol) BRD-M41956198 3.30E+01 probe combination BCL2;BCL2L1;BCL2L2;DIABLO;XIAP inhibitor of BCL2, BCL-xL, and BCL-W;SMAC mimetic; inhibitor of inhibitor of apoptosis proteins (IAPs) CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1cc2c(C[C@@H]3C[C@H](O)CN3C(=O)[C@H](CC)NC(=O)[C@H](C)NC)cc(F)cc2[nH]1.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660173 ISOX:bortezomib (250:1 mol/mol) BRD-M94091398 1.70E+01 probe combination HDAC6;PSMB1;PSMB2;PSMB5;PSMD1;PSMD2 inhibitor of HDAC6;inhibitor of 26S proteasome CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O.CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO +660174 selumetinib:GDC-0941 (4:1 mol/mol) BRD-M25329837 1.70E+02 probe combination MAP2K1;MAP2K2;PIK3CA;PIK3CB;PIK3CD;PIK3CG inhibitor of MEK1 and MEK2;inhibitor of PI3K kinase activity Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 +660175 selumetinib:tretinoin (2:1 mol/mol) BRD-M45185124 2.00E+02 probe combination MAP2K1;MAP2K2;RARA;RARB;RARG inhibitor of MEK1 and MEK2;agonist of retinoid acid receptors CC(=C/CO)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C.Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO +660176 selumetinib:vorinostat (8:1 mol/mol) BRD-M98616540 1.50E+02 probe combination MAP2K1;MAP2K2;HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of MEK1 and MEK2;inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 ONC(=O)CCCCCCC(=O)Nc1ccccc1.Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO +660177 selumetinib:JQ-1 (4:1 mol/mol) BRD-M46138460 1.70E+02 probe combination MAP2K1;MAP2K2;BRDT inhibitor of MEK1 and MEK2;inhibitor of bromodomain (BRD) and extra-C terminal domain (BET) proteins Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1 +660178 selumetinib:BRD-A02303741 (4:1 mol/mol) BRD-M65857522 1.70E+02 probe combination MAP2K1;MAP2K2;DOT1L inhibitor of MEK1 and MEK2;inhibitor of histone methyltransferases Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 +660179 tretinoin:navitoclax (4:1 mol/mol) BRD-M74379094 8.30E+01 probe combination RARA;RARB;RARG;BCL2;BCL2L1;BCL2L2 agonist of retinoid acid receptors;inhibitor of BCL2, BCL-xL, and BCL-W CC(=C/CO)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660180 decitabine:navitoclax (2:1 mol/mol) BRD-M43399311 5.00E+01 probe combination DNMT1;BCL2;BCL2L1;BCL2L2 inhibitor of DNA methyltransferase;inhibitor of BCL2, BCL-xL, and BCL-W Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660181 tretinoin:carboplatin (2:1 mol/mol) BRD-M31706333 1.00E+02 probe combination RARA;RARB;RARG agonist of retinoid acid receptors;inducer of DNA damage O=C1O[Pt]OC(=O)C11CCC1.CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/CO +660201 necrostatin-7 BRD-K50145167 6.60E+01 probe lit-search inhibitor of necroptosis Cayman 10528 Fc1ccc(cc1)-c1n[nH]cc1C=C1SC(=N)N(C1=O)c1nccs1 +660202 PYR-41 BRD-K60750172 6.60E+01 probe lit-search UBA1 inhibitor of ubiquitin-activating enzyme in cells Tocris Bioscience;Tocris Bioscience 4088;2978 CCOC(=O)c1ccc(cc1)N1NC(=O)C(=Cc2ccc(o2)[N+]([O-])=O)C1=O +660206 I-BET151 BRD-K36363294 6.60E+01 probe chromatin;lit-search BRD2;BRD3;BRD4 inhibitor of bromodomain (BRD) and extra-C terminal domain (BET) proteins ChemieTek CT-BET151 . COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C +660207 lomeguatrib BRD-K27955832 6.60E+01 clinical lit-search MGMT inhibitor of methylguanine-DNA methyltransferase Tocris Bioscience 4359 Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1 +660208 PF-184 BRD-K11593101 6.60E+01 probe kinome IKBKB inhibitor of IKK-2 Tocris Bioscience 4238 C[C@@]1(CO)CN(C[C@]1(C)CO)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)cc2)C(N)=O)c(Cl)cn1 +660216 tanespimycin:gemcitabine (1:1 mol/mol) BRD-M41695494 3.30E+01 probe combination HSP90AA1;CMPK1;RRM1;TYMS inhibitor of HSP90;inhibitor of DNA replication; inhibitor of ribonucleotide reductase, thymidylate synthetase, and cytidine monophosphate (UMP-CMP) kinase Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O +660217 docetaxel:tanespimycin (2:1 mol/mol) BRD-M60574774 5.00E+01 probe combination HSP90AA1 inhibitor of microtubule assembly;inhibitor of HSP90 CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O.CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)C2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C +660218 selumetinib:MK-2206 (8:1 mol/mol) BRD-M34300043 1.50E+02 probe combination MAP2K1;MAP2K2;AKT1 inhibitor of MEK1 and MEK2;inhibitor of AKT1 Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 +660219 navitoclax:PLX-4032 (1:1 mol/mol) BRD-M55709992 3.30E+01 probe combination BCL2;BCL2L1;BCL2L2;BRAF inhibitor of BCL2, BCL-xL, and BCL-W;inhibitor of BRAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660220 selumetinib:piperlongumine (8:1 mol/mol) BRD-M89326994 1.50E+02 probe combination MAP2K1;MAP2K2 inhibitor of MEK1 and MEK2;natural product; modulator of ROS levels COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC.Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO +660221 tanespimycin:bortezomib (250:1 mol/mol) BRD-M09675615 1.70E+01 probe combination HSP90AA1;PSMB1;PSMB2;PSMB5;PSMD1;PSMD2 inhibitor of HSP90;inhibitor of 26S proteasome CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O.CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O +660222 navitoclax:MST-312 (1:1 mol/mol) BRD-M71072276 3.30E+01 probe combination BCL2;BCL2L1;BCL2L2;TERT inhibitor of BCL2, BCL-xL, and BCL-W;inhibitor of telomerase reverse transcriptase Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660223 carboplatin:etoposide (40:17 mol/mol) BRD-M63575423 4.80E+01 probe combination TOP2A inducer of DNA damage;inhibitor of topoisomerase II O=C1O[Pt]OC(=O)C11CCC1.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 +660224 piperlongumine:MST-312 (1:1 mol/mol) BRD-M37545453 3.30E+01 probe combination TERT natural product; modulator of ROS levels;inhibitor of telomerase reverse transcriptase COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC.Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O +660225 navitoclax:gemcitabine (1:1 mol/mol) BRD-M68535767 3.30E+01 probe combination BCL2;BCL2L1;BCL2L2;CMPK1;RRM1;TYMS inhibitor of BCL2, BCL-xL, and BCL-W;inhibitor of DNA replication; inhibitor of ribonucleotide reductase, thymidylate synthetase, and cytidine monophosphate (UMP-CMP) kinase Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660227 JW-480 BRD-K99655327 6.60E+01 probe lit-search NCEH1 inhibitor of serine hydrolase enzyme NCEH Tocris Bioscience 4327 CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1 +660228 BMS-195614 BRD-K45935533 6.60E+01 probe chromatin;lit-search RARA;RARB;RARG antagonist of retinoic acid receptors Tocris Bioscience 3660 CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O +660229 BRD-K07442505 BRD-K07442505 6.60E+01 probe outreach BAX stapled helical peptide activating BAX Dana Farber Cancer Institute;Dana Farber Cancer Institute DFCI-LW13 CCOc1ccccc1N\N=C1C(=O)N(N=C\1C)c1nc(cs1)-c1ccccc1 +660230 BRD-K35604418 BRD-K35604418 2.70E+02 probe outreach MCL1 inhibitor of MCL1 Dana Farber Cancer Institute Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O +660238 SB-743921 BRD-K62358710 3.30E+01 clinical lit-search KIF11 inhibitor of kinesin 11 Selleck S2182 CC(C)[C@H](N(CCCN)C(=O)c1ccc(C)cc1)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1 +660245 GSK525762A BRD-K08109215 6.60E+01 probe chromatin;lit-search BRD2;BRD3;BRD4 inhibitor of bromodomain (BRD) and extra-C terminal domain (BET) proteins EMD Biosciences 401010 CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 +660246 navitoclax:pluripotin (1:1 mol/mol) BRD-M07227555 3.30E+01 probe combination BCL2;BCL2L1;BCL2L2;MAPK1;RASAL1 inhibitor of BCL2, BCL-xL, and BCL-W;promoter of embryonic stem cell self-renewal; inhibitor of Ras-GAP and ERK CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660247 JQ-1:carboplatin (1:1 mol/mol) BRD-M11510342 6.60E+01 probe combination BRDT inhibitor of bromodomain (BRD) and extra-C terminal domain (BET) proteins;inducer of DNA damage O=C1O[Pt]OC(=O)C11CCC1.Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1 +660248 selumetinib:navitoclax (8:1 mol/mol) BRD-M39644375 1.50E+02 probe combination MAP2K1;MAP2K2;BCL2;BCL2L1;BCL2L2 inhibitor of MEK1 and MEK2;inhibitor of BCL2, BCL-xL, and BCL-W Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660249 selumetinib:decitabine (4:1 mol/mol) BRD-M45217710 1.70E+02 probe combination MAP2K1;MAP2K2;DNMT1 inhibitor of MEK1 and MEK2;inhibitor of DNA methyltransferase Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO +660250 decitabine:carboplatin (1:1 mol/mol) BRD-M60251345 6.60E+01 probe combination DNMT1 inhibitor of DNA methyltransferase;inducer of DNA damage O=C1O[Pt]OC(=O)C11CCC1.Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 +660251 SNX-2112:bortezomib (250:1 mol/mol) BRD-M68452404 1.70E+01 probe combination HSP90AA1;HSP90B1;PSMB1;PSMB2;PSMB5;PSMD1;PSMD2 inhibitor of HSP90alpha and HSP90beta;inhibitor of 26S proteasome CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O.CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(N[C@H]3CC[C@H](O)CC3)c2)C(F)(F)F)C(=O)C1 +660252 JQ-1:navitoclax (2:1 mol/mol) BRD-M87479906 5.00E+01 probe combination BRDT;BCL2;BCL2L1;BCL2L2 inhibitor of bromodomain (BRD) and extra-C terminal domain (BET) proteins;inhibitor of BCL2, BCL-xL, and BCL-W Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660253 JQ-1:MK-0752 (1:1 mol/mol) BRD-M94343540 6.60E+01 probe combination BRDT;APH1A;NCSTN;PSEN1;PSENEN inhibitor of bromodomain (BRD) and extra-C terminal domain (BET) proteins;inhibitor of gamma-secretase OC(=O)CC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1 +660268 BRD-A02303741:navitoclax (2:1 mol/mol) BRD-M76874421 5.00E+01 probe combination DOT1L;BCL2;BCL2L1;BCL2L2 inhibitor of histone methyltransferases;inhibitor of BCL2, BCL-xL, and BCL-W CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660269 salermide:PLX-4032 (12:1 mol/mol) BRD-M86771886 2.20E+02 probe combination SIRT1;SIRT2;BRAF inhibitor of sirtuin 1 and sirtuin 2;inhibitor of BRAF CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F +660270 UNC0638:navitoclax (1:1 mol/mol) BRD-M97749165 3.30E+01 probe combination EHMT1;EHMT2;BCL2;BCL2L1;BCL2L2 inhibitor of EHMT2 and GLP methyltransferase;inhibitor of BCL2, BCL-xL, and BCL-W COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660271 BRD-A02303741:carboplatin (1:1 mol/mol) BRD-M48845972 6.60E+01 probe combination DOT1L inhibitor of histone methyltransferases;inducer of DNA damage O=C1O[Pt]OC(=O)C11CCC1.CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 +660280 doxorubicin:navitoclax (2:1 mol/mol) BRD-M01915239 5.00E+01 probe combination TOP2A;BCL2;BCL2L1;BCL2L2 inhibitor of topoisomerase II;inhibitor of BCL2, BCL-xL, and BCL-W COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660281 selumetinib:UNC0638 (4:1 mol/mol) BRD-M39460218 1.70E+02 probe combination MAP2K1;MAP2K2;EHMT1;EHMT2 inhibitor of MEK1 and MEK2;inhibitor of EHMT2 and GLP methyltransferase Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 +660282 alisertib:navitoclax (2:1 mol/mol) BRD-M07476339 5.00E+01 probe combination AURKA;AURKB;BCL2;BCL2L1;BCL2L2 inhibitor of aurora kinases A and B;inhibitor of BCL2, BCL-xL, and BCL-W COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660283 navitoclax:sorafenib (1:1 mol/mol) BRD-M03799014 5.00E+01 probe combination BCL2;BCL2L1;BCL2L2;BRAF;FLT3;KDR;RAF1 inhibitor of BCL2, BCL-xL, and BCL-W;inhibitor of BRAF, CRAF, and VEGFR2 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660284 navitoclax:piperlongumine (1:1 mol/mol) BRD-M43334969 3.30E+01 probe combination BCL2;BCL2L1;BCL2L2 inhibitor of BCL2, BCL-xL, and BCL-W;natural product; modulator of ROS levels COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660286 SMER-3 BRD-K92960067 6.60E+01 probe lit-search CUL1;SKP1 inhibitor of E3-ubiquitin ligase Tocris Bioscience 4375 O=C1c2ccccc2-c2nc3nonc3nc12 +660287 NVP-ADW742 BRD-K15179513 6.60E+01 probe kinome IGF1R inhibitor of insulin-like growth factor 1 receptor Selleck S1088 Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@H](CN2CCCC2)C1 +660288 clofarabine BRD-K34022604 6.60E+01 FDA std-of-care inducer of DNA damage Selleck S1218 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F +660301 vorinostat:navitoclax (4:1 mol/mol) BRD-M23798888 3.30E+01 probe combination HDAC1;HDAC2;HDAC3;HDAC6;HDAC8;BCL2;BCL2L1;BCL2L2 inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8;inhibitor of BCL2, BCL-xL, and BCL-W ONC(=O)CCCCCCC(=O)Nc1ccccc1.CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1 +660304 XL765 BRD-K75308783 6.60E+01 clinical kinome MTOR;PIK3CA;PIK3CB;PIK3CD;PIK3CG;PRKDC inhibitor of mTOR and PI3K kinase acitivities Selleck S1523 COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1 +660306 AZD1480 BRD-K65928735 6.60E+01 clinical CTEP;kinome JAK1;JAK2 inhibitor of Janus kinases 1 and 2 Selleck S2162 C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 +660314 ML258 BRD-A82720512 6.60E+01 probe outreach BCL2L10 inhibitor of BIM-BCL-B interaction Sanford-Burnham Medical Research Institute COc1ccc(CN2c3nnnn3C3C(C2=O)C2(CCCC2)Cc2ccccc32)cc1 +660317 SR1001 BRD-K47981327 6.60E+01 probe chromatin;lit-search RORA;RORC synthetic ROR ligand; suppressor of TH17 differentiation Cayman 10922 CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F +660318 bardoxolone methyl BRD-K59437938 6.60E+01 clinical lit-search electrophilic inducer of the NFE2L2-KEAP1 pathway Axon Medchem 1772 COC(=O)[C@@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)C=C(C#N)C(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]1(C)CC2 +660319 elocalcitol BRD-A04287157 6.60E+01 clinical lit-search VDR agonist of vitamin D receptor Axon Medchem 1676 CCC(O)(CC)\C=C\CC(C)C1=CC[C@@H]2[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](F)C1=C +660321 BMS-270394 BRD-K04905989 6.60E+01 probe chromatin;lit-search RARG antagonist of retinoic acid receptor gamma Axon Medchem 1173 CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O +660322 fluvastatin BRD-A52530402 6.60E+01 FDA lit-search HMGCR inhibitor of HMG-CoA reductase Tocris Bioscience 3309 CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)C(c2ccccc12)c1ccc(F)cc1 +660325 AZD4547 BRD-K28392481 6.60E+01 clinical lit-search FGFR1;FGFR2;FGFR3 inhibitor of fibroblast growth factor receptors Active Biochem A-1174 COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1 +660327 hyperforin BRD-A30032852 6.60E+01 clinical lit-search TRPC6 agonist of calcium-permeable ion channels Sigma-Aldrich H1792 CC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)C(=O)C(CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O +660331 NVP-231 BRD-A12571627 6.60E+01 probe kinome CERK inhibitor of ceramide kinase Tocris Bioscience 3960 O=C(Nc1nc2ccc(NC(=O)C34C[C@H]5C[C@H](C[C@H](C5)C3)C4)cc2s1)c1ccccc1 +660332 MK-0752 BRD-K18850819 6.60E+01 clinical lit-search APH1A;NCSTN;PSEN1;PSENEN inhibitor of gamma-secretase Selleck S2660 OC(=O)CC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 +660341 semagacestat BRD-K65592642 6.60E+01 clinical lit-search APH1A;NCSTN;PSEN1;PSENEN inhibitor of gamma-secretase Selleck S1594 CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O +660342 BRD-A05715709 BRD-A05715709 6.60E+01 probe outreach IDH1 putative inhibitor of IDH1 R132H Broad Institute of MIT and Harvard Cc1ccccc1C(N(C(=O)Cc1ccncc1)c1cccc(F)c1)C(=O)NC1CCCCC1 +660346 bosutinib BRD-K90746395 6.60E+01 FDA kinome ABL1;SRC inhibitor of SRC and ABL1 Selleck S1014 COc1cc(Nc2cc(nc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl +660358 temsirolimus BRD-K08177763 6.60E+01 FDA CTEP;kinome;std-of-care MTOR inhibitor of mTOR Selleck S1044 CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OC(=O)C(C)(CO)CO +660363 abiraterone BRD-K50071428 1.70E+01 FDA std-of-care CYP17A1 inhibitor of 17 alpha-hydroxylase and C17,20 lyase Selleck S1123 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 +660364 docetaxel BRD-A05821830 6.60E+01 FDA std-of-care inhibitor of microtubule assembly Selleck S1148 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]1(C)C2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C([C@@H](O)C1=O)C2(C)C +660391 nelarabine BRD-K84466663 6.60E+01 FDA CTEP;std-of-care POLA1 deoxyguanosine analog; inhibitor of DNA synthesis Selleck S1213 COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O +660397 rigosertib BRD-K55187425 6.60E+01 clinical kinome PIK3CA;PIK3CB;PLK1 inhibitor of polo-like kinase 1; inhibitor of PI3K catalytic subunits alpha and beta Selleck S1362 COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 +660409 AT7867 BRD-K12040459 6.60E+01 probe chromatin;kinome AKT1;AKT2;AKT3;RPS6KB2 inhibitor of AKT1/2/3 and S6K Selleck S1558 Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1 +660410 PD318088 BRD-A57798112 6.60E+01 probe kinome MAP2K1;MAP2K2 inhibitor of MEK1 and MEK2 Selleck S1568 OCC(O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F +660411 KU-60019 BRD-K36016295 6.60E+01 probe kinome ATM inhibitor of ataxia telangiectasia mutated (ATM) Selleck S1570 C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 +660412 BIRB-796 BRD-K74065929 6.60E+01 probe kinome MAPK11;MAPK11;MAPK14 inhibitor of p38 MAPK Selleck S1574 Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C +660413 KW-2449 BRD-K21718444 6.60E+01 clinical kinome AURKA;FLT3 inhibitor of FLT3 and AURKA Selleck S2158 O=C(N1CCNCC1)c1ccc(cc1)\C=C\c1n[nH]c2ccccc12 +660414 RAF265 BRD-K93123848 6.60E+01 clinical kinome BRAF;KDR ihibitor of VEGFR2 and BRAF Selleck S2161 Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 +660421 silmitasertib BRD-K81458380 6.60E+01 clinical kinome CSNK2A1;CSNK2A2 inhibitor of casein kinase 2 Selleck S2248 OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 +660424 BRD-K03911514 BRD-K03911514 6.60E+01 probe outreach stapled helical peptide Dana Farber Cancer Institute CCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O +660425 BRD-K16130065 BRD-K16130065 6.60E+01 probe outreach stapled helical peptide Dana Farber Cancer Institute CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O +660429 momelotinib BRD-K87737963 6.60E+01 clinical kinome JAK1;JAK2 inhibitor of Janus kinases 1 and 2 Selleck S2219 O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 +660430 CAL-101 BRD-K60866521 6.60E+01 clinical kinome PIK3CD inhibitor of PI3K catalytic subunit delta Selleck S2226 CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 +660431 LY-2157299 BRD-K78118466 6.60E+01 probe kinome TGFBR1 inhibitor of the transforming growth factor beta type 1 receptor Selleck S2230 Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O +660432 WP1130 BRD-K43644456 6.60E+01 probe lit-search UCHL5;USP14;USP5;USP9X inhibitor of the deubiquitinase activity of USP9X, USP5, USP14, and UCH37 Selleck S2243 CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 +660433 OSI-027 BRD-K87124298 6.60E+01 clinical lit-search MTOR inhibitor of mTORC1 and mTORC2 Selleck S2624 COc1cccc2cc([nH]c12)-c1nc([C@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12 +660434 NVP-BSK805 BRD-K02017404 6.60E+01 probe kinome JAK2 inhibitor of Janus kinase 2 Selleck S2686 Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1 +660768 erlotinib:PLX-4032 (2:1 mol/mol) BRD-M27152968 5.00E+01 probe combination EGFR;ERBB2;BRAF inhibitor of EGFR and HER2;inhibitor of BRAF COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F +660774 PIK-93 BRD-K29395450 6.60E+01 probe kinome PIK3CG inhibitor of PI3K catalytic subunit gamma Selleck S1489 CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO +660777 AZD7762 BRD-K86525559 6.60E+01 clinical kinome CHEK1;CHEK2 inhibitor of checkpoint kinases 1 and 2 Selleck S1532 NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 +660778 birinapant BRD-K18589165 6.60E+01 clinical CTEP;lit-search DIABLO;XIAP SMAC mimetic; inhibitor of inhibitor of apoptosis proteins (IAPs) Active Biochem A-1901 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1cc2c(C[C@@H]3C[C@H](O)CN3C(=O)[C@H](CC)NC(=O)[C@H](C)NC)cc(F)cc2[nH]1 +660779 KX2-391 BRD-K29968218 6.60E+01 clinical kinome SRC peptide mimetic; inhibitor of SRC activity in cells Selleck S2700 O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1 +660796 3-Cl-AHPC BRD-A09890259 6.60E+01 probe outreach NR0B2 binder of nuclear receptor SHP Sanford-Burnham Medical Research Institute OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 +660797 BRD-K58730230 BRD-K58730230 6.60E+01 probe outreach stapled helical peptide Dana Farber Cancer Institute CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O +660798 BRD-K27188169 BRD-K27188169 6.60E+01 probe outreach stapled helical peptide Dana Farber Cancer Institute CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O +660819 KHS101 BRD-K78978711 6.60E+01 probe lit-search TACC3 binder of TACC3, a component of the centrosome and mitotic spindle Sigma-Aldrich K4019 CC(C)CNc1ccnc(NCc2csc(n2)-c2ccccc2)n1 +660821 WAY-362450 BRD-K54640016 6.60E+01 probe chromatin;lit-search NR1H4 agonist of farnesoid X receptor Axon Medchem 1749 CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 +660823 JQ-1:vorinostat (2:1 mol/mol) BRD-M56962220 5.00E+01 probe combination BRDT;HDAC1;HDAC2;HDAC3;HDAC6;HDAC8 inhibitor of bromodomain (BRD) and extra-C terminal domain (BET) proteins;inhibitor of HDAC1, HDAC2, HDAC3, HDAC6, and HDAC8 ONC(=O)CCCCCCC(=O)Nc1ccccc1.Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1 +660839 BRD-K13185470 BRD-K13185470 6.60E+01 probe outreach MCL1 stapled helical peptide targeting MCL1 Dana Farber Cancer Institute CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O +660840 cabozantinib BRD-K51544265 6.60E+01 FDA CTEP;kinome FLT3;KDR;MET;RET inhibitor of c-MET, VEGFR2/3, and RET Selleck S1119 COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC +660857 crizotinib:PLX-4032 (2:1 mol/mol) BRD-M95284333 5.00E+01 probe combination ALK;MET;BRAF inhibitor of c-MET and ALK;inhibitor of BRAF C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F +660890 BRD-M00053801 BRD-M00053801 6.60E+01 probe lit-search;synthesis BCL2 inhibitor of BCL2 Broad Institute of MIT and Harvard C[C@H](O)[C@@H]1[C@H](CO)ON(Cc2cccc(CN(CCN(C)C)[C@H](C3CCCCC3)c3ccccc3)c2)[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C.C[C@H](O)[C@@H]1[C@H](CO)ON(Cc2cccc(CN(CCN(C)C)[C@@H](C3CCCCC3)c3ccccc3)c2)[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C +660935 KPT185 BRD-K71467466 6.60E+01 probe outreach XPO1 inhibitor of exportin 1 Karyopharm Therapeutics KPT-185-004 COc1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)OC(C)C)n1 +660985 pitstop2 BRD-K90570971 6.60E+01 probe lit-search CLTA;CLTB;CLTC;CLTCL1 inhibitor of clathrin and clathrin-independent endocytosis Cellagen Technology C7487-2 Brc1ccc(cc1)\C=C1/SC(NS(=O)(=O)c2cccc3ccccc23)=NC1=O +660993 R428 BRD-K14870255 6.60E+01 probe kinome AXL inhibitor of the tyrosine-protein kinase receptor UFO Symansis Cell Signaling Science SY-R428/10 Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1 +660994 ibrutinib BRD-K70301465 6.60E+01 clinical CTEP;kinome BTK inhibitor of Bruton's tyrosine kinase Selleck S2680 Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C +661032 sotrastaurin BRD-K16761703 6.60E+01 clinical kinome PRKCB inhibitor of protein kinase C beta Axon Medchem 1635 CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 +661033 A-804598 BRD-K76894955 6.60E+01 probe lit-search P2RX7 inhibitor of purinergic receptor P2X Tocris Bioscience 4473 C[C@H](\N=C(\NC#N)Nc1cccc2ncccc12)c1ccccc1 +665818 BRD-K27188169:navitoclax (2:1 mol/mol) BRD-M23096439 5.00E+01 probe combination BCL2;BCL2L1;BCL2L2 stapled helical peptide;inhibitor of BCL2, BCL-xL, and BCL-W CC1(C)CCC(=C(CN2CCN(CC2)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(N[C@H](CCN3CCOCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)C1)c1ccc(Cl)cc1.CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O +665914 COL-3 BRD-A59431241 6.60E+01 clinical outreach analog of tetracycline Harvard University NC(=O)C1C(=O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C1=O +666541 ABT-199 BRD-K62391742 6.60E+01 clinical lit-search BCL2 inhibitor of BCL2 Active Biochem A-1231 CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1 +666716 ETP-46464 BRD-K24556407 6.60E+01 probe lit-search ATM;ATR inhibitor of serine/threonine-protein kinase ATR Spanish National Cancer Research Centre CC(C)(C#N)c1ccc(cc1)N1C(=O)OCc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1 +666910 marinopyrrole A BRD-K57261999 6.60E+01 probe outreach MCL1 natural product; putative inhibitor of MCL1 Harvard University Oc1ccccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(cc(Cl)c1Cl)C(=O)c1ccccc1O +667933 methylstat BRD-K52560704 6.60E+01 probe chromatin;lit-search;outreach KDM3A;KDM4A;KDM4B;KDM4C;KDM4D inhibitor of lysine specific demethylases Colorado State University COC(=O)\C=C\C(=O)N(O)CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1 +668495 BYL-719 BRD-K54997624 6.60E+01 clinical kinome PIK3CA inhibitor of PI3K catalytic subunit alpha Active Biochem A-1214 Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F +668723 GSK2636771 BRD-K49215523 6.60E+01 clinical kinome PIK3CB inhibitor of PI3K catalytic subunit beta Active Biochem A-1230 Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O +668858 SR8278 BRD-A02904414 6.60E+01 probe lit-search NR1D1 antagonist of Rev-ErbAalpha EMD Biosciences EMB-5547 CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(SC)s1 +676728 JW-74 BRD-K75664313 6.60E+01 probe lit-search inhibitor of WNT signaling Sigma-Aldrich SML0227 COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1 +677522 necrosulfonamide BRD-K64117221 6.60E+01 probe lit-search inhibitor of downstream signaling of RIP3 associated with MLKL Toronto Research Chemicals N388600 COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)cc1 +679843 HBX-41108 BRD-K50501969 6.60E+01 probe lit-search USP7 inhibitor of the deubiquitinase activity of USP7 Tocris Bioscience 4285 Clc1ccc-2c(c1)C(=O)c1nc(C#N)c(nc-21)C#N +679844 palmostatin B BRD-K42137908 6.60E+01 probe lit-search LYPLA1 inhibitor of acyl-protein thioesterase 1 EMD Biosciences 178501 CCCCCCCCCC[C@H]1[C@H](CCc2ccc(OC)c(OC)c2)OC1=O +682993 JW-55 BRD-K53328210 6.60E+01 probe lit-search TNKS inhibitor of tankyrase ChemBridge Corporation 7667791 COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCOCC1 +686134 BRD-K03536150 BRD-K03536150 2.70E+02 probe outreach BAX activator of BAX Dana Farber Cancer Institute;Dana Farber Cancer Institute DFCI-LW14 CC1=NN(C(=O)C\1=N\Nc1ccccc1C(O)=O)c1nc(cs1)-c1ccccc1 +687395 BRD-K99006945 BRD-K99006945 6.60E+01 probe chromatin;lit-search;synthesis screening hit Broad Institute of MIT and Harvard CCN(CC)c1ccc(cc1)C1=NNC(=O)C[C@H]1C +687406 tivantinib BRD-K33379087 6.60E+01 clinical CTEP;kinome MET inhibitor of MET; inhibitor of microtubule assembly Active Biochem A-1109 O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 +687418 trametinib BRD-K12343256 6.60E+01 clinical CTEP;kinome MAP2K1;MAP2K2 inhibitor of MEK1 and MEK2 Selleck S2673 CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O +687577 RO4929097 BRD-K22024824 6.60E+01 clinical CTEP APH1A;NCSTN;PSEN1;PSENEN inhibitor of gamma-secretase Selleck S1575 CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O +687578 dinaciclib BRD-K13662825 6.60E+01 clinical chromatin;CTEP;kinome CDK1;CDK2;CDK5;CDK9 inhibitor of cyclin-dependent kinases Selleck S2678 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO +687579 MLN2480 BRD-K43410529 6.60E+01 clinical lit-search ARAF;BRAF;RAF1 inhibitor of RAF kinases Active Biochem A-1192 C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(s1)C(=O)Nc1cc(c(Cl)cn1)C(F)(F)F +687661 BRD-K51831558 BRD-K51831558 6.60E+01 probe chromatin;lit-search;synthesis EZH2 inhibitor of enhancer of zeste polycomb repressive complex 2 subunit Broad Institute of MIT and Harvard CC(C)n1ncc2c(cc(Br)cc12)C(=O)NCc1c(C)cc(C)[nH]c1=O +687694 istradefylline BRD-K87774949 3.30E+01 clinical lit-search ADORA2A antagonist of the adenosine A2A receptor Selleck S2790 CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O +687714 MI-2 BRD-K90860366 6.60E+01 probe chromatin;lit-search;synthesis MEN1 binder of menin; inhibitor of menin-MLL fusion protein Broad Institute of MIT and Harvard CCCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 +687715 BRD-K42260513 BRD-K42260513 6.60E+01 probe chromatin;lit-search;synthesis EZH2 inhibitor of enhancer of zeste polycomb repressive complex 2 subunit Broad Institute of MIT and Harvard CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O +687720 alvocidib BRD-K68682020 6.60E+01 clinical CTEP;kinome CDK1;CDK2;CDK4;CDK6 inhibitor of cyclin-dependent kinases Selleck S1230 CN1CC[C@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl +687721 CBB-1007 BRD-K84754008 6.60E+01 probe lit-search KDM1A inhibitor of lysine-specific demethylase 1A (LSD1) Broad Institute of MIT and Harvard COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(N)=N +687735 GSK-J4 BRD-K98203492 6.60E+01 probe chromatin;lit-search KDM6A;KDM6B inhibitor of lysine-specific demethylases Tocris Bioscience 4594 CCOC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 +687769 BRD-A86708339 BRD-A86708339 6.60E+01 probe outreach screening hit Dana Farber Cancer Institute Cc1ccc(cc1)C(NC(=O)c1ccccc1)c1ccc2cccnc2c1O +687953 PF-3758309 BRD-K37764012 6.60E+01 probe kinome PAK4 inhibitor of serine/threonine p21-activating kinase 4 Broad Institute of MIT and Harvard CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1 +687954 dabrafenib BRD-K09951645 6.60E+01 clinical CTEP;kinome BRAF inhibitor of BRAF Active Biochem A-1219 CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F +688138 SZ4TA2 BRD-K55125219 6.60E+01 probe lit-search BCL2L1 inhibitor of BCL-xL Broad Institute of MIT and Harvard CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O +688229 AT13387 BRD-K58435339 6.60E+01 clinical CTEP HSP90AA1 inhibitor of HSP90 Selleck S1163 CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O +688516 BCL-LZH-4 BRD-A68258842 6.60E+01 probe lit-search;synthesis inhibitor of BCL2, BCL-xL, and MCL1 Broad Institute of MIT and Harvard COc1ccc(cc1)C1C(C(=O)Nc2ccccc2)=C(C)N=c2s\c(=C/c3cn(Cc4ccccc4)c4ccccc34)c(=O)n12 +688799 skepinone-L BRD-K83607951 6.60E+01 probe kinome MAPK14 inhibitor of p38 MAPK Broad Institute of MIT and Harvard OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 +688888 BRD-K34222889 BRD-K34222889 6.60E+01 probe outreach analog of the natural product piperlongumine Broad Institute of MIT and Harvard COc1ccc(cc1)C#CC1=CCCN(C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)C1=O +688962 PF-4800567 hydrochloride BRD-K43428468 6.60E+01 probe kinome CSNK1D;CSNK1E inhibitor of casein kinase isoforms delta and epsilon Tocris Bioscience 4281 Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 +688975 avicin D BRD-A15100685 6.60E+01 probe outreach natural product MD Anderson Cancer Center CC1O[C@@H](OCC2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)[C@H](C[C@@]6([C@H](O)C[C@@]54C)C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)OC(=O)C(\CO)=C\CC[C@](C)(O[C@@H]4OC(C)[C@@H](OC(=O)C(\CO)=C\CCC(C)(O)C=C)[C@@H](O)[C@@H]4O)C=C)C3(C)C)[C@@H](NC(C)=O)[C@H](O)[C@@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O +689136 BRD9876:MK-1775 (4:1 mol/mol) BRD-M80099012 6.60E+01 probe combination WEE1 screening hit;inhibitor of WEE1 CC(C)(C)c1ccc2cc(C#N)c(cc2c1)C#N.CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 +689506 BRD-K30748066 BRD-K30748066 6.60E+01 probe kinome CDK9 inhibitor of CDK9 Broad Institute of MIT and Harvard Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 +705300 linsitinib BRD-K08589866 3.30E+01 clinical CTEP;kinome;pilot-set IGF1R;INSR inhibitor of insulin-like growth factor 1 receptor and insulin receptor Selleck S1091 CC1(O)CC(C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26 +710154 AT-406 BRD-K02834582 6.60E+01 probe lit-search;synthesis XIAP SMAC mimetic; inhibitor of inhibitor of apoptosis proteins (IAPs) Selleck S2754 CNC(C)C(=O)NC1CN(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)C(=O)CC(C)C diff --git a/man/ctrp_treatmentIDs.Rd b/man/ctrp_treatmentIDs.Rd new file mode 100644 index 0000000..acfa23c --- /dev/null +++ b/man/ctrp_treatmentIDs.Rd @@ -0,0 +1,28 @@ +% Generated by roxygen2: do not edit by hand +% Please edit documentation in R/data.R +\docType{data} +\name{ctrp_treatmentIDs} +\alias{ctrp_treatmentIDs} +\title{ctrp_treatmentIDs is a preprocessed version of the CTRP treatment metadata.} +\format{ +A data table with 2 columns and 545 rows. +\describe{ +\item{CTRP.treatmentid}{\code{char} The treatment id of the all the compounds used in the experiment.} +\item{CTRP.broad_cpd_id}{\code{char} The broad compound id of the all the compounds used in the experiment.} +} +} +\source{ +https://ctd2-data.nci.nih.gov/Public/Broad/CTRPv2.0_2015_ctd2_ExpandedDataset/CTRPv2.0_2015_ctd2_ExpandedDataset.zip +} +\usage{ +data(ctrp_treatmentIDs) +} +\description{ +Data was obtained from "https://ctd2-data.nci.nih.gov/Public/Broad/CTRPv2.0_2015_ctd2_ExpandedDataset/CTRPv2.0_2015_ctd2_ExpandedDataset.zip" +and preprocessed to only get two columns: CTRP.treatmentid and CTRP.broad_cpd_id. +} +\examples{ +data(ctrp_treatmentIDs) +head(ctrp_treatmentIDs) +} +\keyword{datasets}