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Running
Running
| CN(C)CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1 CIL55 | |
| CC(C)N1C(=O)S\C(=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)C1=O BRD4132 | |
| C(Cn1c2ccccc2c2ccccc12)c1nc2ccccc2[nH]1 BRD6340 | |
| C1CN(CCO1)c1nnc(-c2ccccc2)c(n1)-c1ccccc1 ML006 | |
| OC(CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12 Bax channel blocker | |
| CC(C)(C)c1ccc2cc(C#N)c(cc2c1)C#N BRD9876 | |
| CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C tretinoin | |
| 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 betulinic acid | |
| Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 phloretin | |
| O=C1N(C2CCC(=O)NC2=O)C(=O)c2ccccc12 thalidomide | |
| 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 gossypol | |
| OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl chlorambucil | |
| Fc1c[nH]c(=O)[nH]c1=O fluorouracil | |
| Oc1ccc(cc1)\C=C\C(=O)c1ccc(O)cc1O isoliquiritigenin | |
| CN\C(NCCSCc1nc[nH]c1C)=N/C#N cimetidine | |
| Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 azacitidine | |
| CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 trifluoperazine | |
| 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 paclitaxel | |
| CC\C(c1ccccc1)=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1 tamoxifen | |
| O=C1O[Pt]OC(=O)C11CCC1 carboplatin | |
| 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 teniposide | |
| CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(C)CC4 sildenafil | |
| 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 simvastatin | |
| CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1 parbendazole | |
| CNNCc1ccc(cc1)C(=O)NC(C)C procarbazine | |
| COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O curcumin | |
| Cc1cc(C2CCCCC2)n(O)c(=O)c1 ciclopirox | |
| Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 epigallocatechin-3-monogallate | |
| Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O myricetin | |
| CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O methotrexate | |
| CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12 lovastatin | |
| Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 valdecoxib | |
| ClCCN(CCCl)P1(=O)NCCCO1 cyclophosphamide | |
| CN(C)\N=N\c1[nH]cnc1C(N)=O dacarbazine | |
| Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O niclosamide | |
| CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 prochlorperazine | |
| ClCCNP1(=O)OCCCN1CCCl ifosfamide | |
| 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 doxorubicin | |
| 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 ouabain | |
| COc1ccc(cc1)N(C(=O)c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC BRD9647 | |
| COc1cc(cc(OC)c1OC)\C=C\C(=O)N1CCC=CC1=O piperlongumine | |
| COc1cc(CCC(=O)N2CCC=CC2=O)cc(OC)c1OC BRD-K26531177 | |
| CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1 NSC23766 | |
| O=C1c2ccccc2-c2n[nH]c3cccc1c23 pyrazolanthrone | |
| CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCC C6-ceramide | |
| CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O topotecan | |
| CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12 N9-isopropylolomoucine | |
| CC(Nc1nc(nc2ccccc12)N1CCCC1)c1ccccc1 importazole | |
| 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 etoposide | |
| OCC1(CO)N2CCC(CC2)C1=O PRIMA-1 | |
| 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 tanespimycin | |
| Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c1ccccc1 blebbistatin | |
| 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 cytochalasin B | |
| OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O NSC95397 | |
| 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 manumycin A | |
| CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O mitomycin | |
| 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 tacrolimus | |
| Cc1ccc(cc1)C(=O)Cn1c2CCCCc2sc1=N pifithrin-alpha | |
| NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccc2OCOc2c1 SB-431542 | |
| CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 staurosporine | |
| Oc1cc(ccc1NC(=O)Nc1ccccc1Br)[N+]([O-])=O SB-225002 | |
| COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC PD 153035 | |
| C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O cerulenin | |
| C1CCC(CC1)n1cnc2c(Nc3ccc(cc3)N3CCOCC3)nc(Oc3cccc4ccccc34)nc12 purmorphamine | |
| O\N=C1/C(Nc2ccccc12)=C1/C(=O)Nc2cc(Br)ccc12 GSK-3 inhibitor IX | |
| Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 dasatinib | |
| COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 gefitinib | |
| COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC erlotinib | |
| 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 BRD-K94991378 | |
| COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1 BIX-01294 | |
| CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N tacedinaline | |
| Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 LBH-589 | |
| Cc1ccccc1-n1c(Cn2cnc3c(N)ncnc23)nc2cccc(C)c2c1=O IC-87114 | |
| 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 ciclosporin | |
| ONC(=O)CCCCCCC(=O)Nc1ccccc1 vorinostat | |
| 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 sirolimus | |
| O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 KU-55933 | |
| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F sitagliptin | |
| CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O AM-580 | |
| CCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c1ccccc1 PDMP | |
| 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 BRD-K71935468 | |
| CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O MG-132 | |
| Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 entinostat | |
| ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 belinostat | |
| N[C@H](CSCCB(O)O)C(O)=O BEC | |
| 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 apicidin | |
| CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Merck60 | |
| CN1CCCCC1NC(=O)[C@H](CCCCCC(C)=O)C(=O)Nc1nc(cs1)-c1ccccc1 BRD-A94377914 | |
| CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1 FGIN-1-27 | |
| CCN(CC)c1ccc(cc1[N+]([O-])=O)C1=NNC(=O)CC1C compound 1B | |
| 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 vincristine | |
| Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 cytarabine hydrochloride | |
| CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3COC(Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O itraconazole | |
| CCOc1ccccc1-n1c(=O)c2ccccc2nc1C(C)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1 erastin | |
| Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccccc1 ML031 | |
| ON=C1c2cc(ccc2-c2ccc(cc12)S(=O)(=O)N1CCCCC1)S(=O)(=O)N1CCCCC1 CIL56 | |
| CCOc1ccccc1C1CC(=O)Nc2cc3OCOc3cc12 FQI-1 | |
| COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N(C(C)=O)c1ccc(OC(C)=O)c2ccccc12 BRD-K92856060 | |
| O=c1n(Cc2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12 B02 | |
| ClC1=C(NCC=C)C(=O)c2ccccc2C1=O BRD-K45681478 | |
| Brc1cc2OCOc2cc1C1Nc2ccccc2C2C=CCC12 ML050 | |
| COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl ML162 | |
| N=C(NOC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 CIL41 | |
| OC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1 NSC30930 | |
| Clc1ccc(CC(=N)NOC(=O)c2cccc3ccccc23)cc1 CIL70 | |
| CC1(C)CN=C(S1)N1CCN(CC1)c1ncnc2sc3CCCCc3c12 MI-1 | |
| C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1 DBeQ | |
| COc1cc(c(Cl)cc1Cl)-n1c(=S)[nH]c2ccccc2c1=O Mdivi-1 | |
| COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1 ML083 | |
| CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)\C=C\c1cccc(c1)[N+]([O-])=O CID-5951923 | |
| Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1 IU1 | |
| CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO dexamethasone | |
| CCN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1ccc2cccnc2c1O ML311 | |
| CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 VX-680 | |
| CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 imatinib | |
| Nc1nc(OCc2ccccc2)c2[nH]cnc2n1 O-6-benzylguanine | |
| Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 decitabine | |
| Cc1c[nH]c(n1)-c1cnc(NCCNc2ccc(cn2)C#N)nc1-c1ccc(Cl)cc1Cl CHIR-99021 | |
| CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O BI-2536 | |
| Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)NCCc1ccncc1)-c1cccs1 BRD-K61166597 | |
| CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 axitinib | |
| Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO selumetinib | |
| Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 NVP-BEZ235 | |
| COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(N)=O)c2cc1OC GW-843682X | |
| COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 vandetanib | |
| CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 sorafenib | |
| Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C ML029 | |
| CN1N=Nc2c(ncn2C1=O)C(=O)N temozolomide | |
| COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1 QW-BI-011 | |
| CC(=O)N[C@@H]1C\C=C\CCC(=O)N[C@@H](COC1=O)c1ccccc1 BRD-K90370028 | |
| 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 navitoclax | |
| Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C bexarotene | |
| Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F nilotinib | |
| CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C sunitinib | |
| Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl bendamustine | |
| COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN3CCC[C@]23C=C1OC omacetaxine mepesuccinate | |
| OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 CD-437 | |
| CC(C)c1ccc(Cn2ccc3c2ccc2nc(NC4CC4)nc(N)c32)cc1 SCH-79797 | |
| CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C LE-135 | |
| Oc1ccc(Nc2nc(cs2)-c2ccc(Cl)cc2)cc1 SKI-II | |
| CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC CI-976 | |
| N[Pt](N)(Cl)Cl Platin | |
| CN1C(=S)NC(Cc2c[nH]c3ccccc23)C1=O necrostatin-1 | |
| COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1 GW-405833 | |
| CCCCCCCCc1ccc(cc1)-c1ccc(cc1)C(O)=O AC55649 | |
| OCc1ccc(s1)-c1ccc(o1)-c1ccc(CO)s1 RITA | |
| CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1 LY-2183240 | |
| COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC Ki8751 | |
| OC(=O)c1ccc(cc1)-c1ccc2cc(c(O)cc2c1)C12CC3CC(CC(C3)C1)C2 CD-1530 | |
| NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 TPCA-1 | |
| O=C1O[Pt]2(NC3CCCCC3N2)OC1=O oxaliplatin | |
| Cc1ccc(C=C2CNCC(=Cc3ccc(C)cc3)C2=O)cc1 NSC632839 | |
| NS(=O)(=O)C#Cc1ccccc1 pifithrin-mu | |
| CCc1c2Cn3c(cc4c(COC(=O)C4(O)CC)c3=O)-c2nc2ccc(O)cc12 SN-38 | |
| CC(=O)N1CCC(CC1)C(=O)Nc1cc(ccc1N)-c1cccs1 BRD-K80183349 | |
| Nc1ccc(cc1NC(=O)C1=CCCC1)-c1cccs1 BRD-K66532283 | |
| NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 MK-2206 | |
| COc1ccc(OC)c(c1)-c1nnc2SCC(=Nn12)c1ccc(OC)c(OC)c1 triazolothiadiazine | |
| 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 BRD-K66453893 | |
| CC(=O)NC1CCN(CC1)C(=O)Nc1cc(ccc1N)-c1cccs1 BRD-K11533227 | |
| C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCOCC2)Oc2ncc(cc2C1=O)C#CC1(O)CCCC1 BRD-K27224038 | |
| C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc2cc(ccc2S1(=O)=O)C#Cc1ccncc1 BRD-K33514849 | |
| CC(C)CC#Cc1ccc2c(O[C@@H](CN(C)C(=O)c3cnccn3)[C@H](C)CN([C@H](C)CO)S2(=O)=O)c1 BRD-K14844214 | |
| C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(O)=O)Oc2cc(ccc2S1(=O)=O)C#CCC1CCCC1 BRD1835 | |
| C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2cc(ccc2S1(=O)=O)C#CC1CCCC1 BRD-K41597374 | |
| C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc2cc(ccc2S1(=O)=O)C#Cc1ccncc1 BRD-K63431240 | |
| C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccncc2)Oc2cc(ccc2S1(=O)=O)C#Cc1ccccc1F BRD-K13999467 | |
| C\C=C\c1ccc2c(O[C@@H](CN(C)C(=O)c3ccccc3)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O)c1 BRD-K96970199 | |
| CC1CCC\C=C/C2CC(O)CC2C(O)\C=C/C(=O)O1 brefeldin A | |
| Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 AGK-2 | |
| 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 L-685458 | |
| O=C(Nc1ccccc1)N1CCC(Cc2cnc3ccccc3c2)CC1 PF-750 | |
| 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 triptolide | |
| COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 nutlin-3 | |
| CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F AA-COCF3 | |
| 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 16-beta-bromoandrosterone | |
| Brc1ccc(OCc2ccccc2Br)c(\C=C2\SC(=S)NC2=O)c1 PRL-3 inhibitor I | |
| CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C SID 26681509 | |
| O=C(NC1CC1)c1cc(on1)-c1cccs1 neuronal differentiation inducer III | |
| Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1 NSC 74859 | |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O bortezomib | |
| CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 ABT-737 | |
| OC[C@H]1O[C@H](C(O)[C@H]1O)n1cccnc1=O zebularine | |
| CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO tubastatin A | |
| 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 SR-II-138A | |
| 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 neopeltolide | |
| C\C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 parthenolide | |
| CCOC(=O)\C=C/n1nnc(n1)-c1cccc(Cl)c1 Compound 7d-cis | |
| Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C TG-101348 | |
| NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(N[C@H]3CCc4ccccc34)ncnc12 pevonedistat | |
| CN(C)C(=O)c1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 AZD7545 | |
| Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 VER-155008 | |
| Nc1cccc(c1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1 ML203 | |
| O=C(Nc1cc(CN2CCNCC2)cc(c1)-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1 SRT-1720 | |
| O=C(NCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc2ccccc2c1 CAY10594 | |
| Oc1cccc2cc(C(=O)Nc3cccc(c3)-c3cn4ccccc4n3)c(=O)oc12 Compound 1541A | |
| OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O RG-108 | |
| Oc1c(CC=C)cccc1\C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1 PAC-1 | |
| CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C pluripotin | |
| Clc1ccc(OCCCCCC\N=C(\NC#N)Nc2ccncc2)cc1 GMX-1778 | |
| CC1(C)Oc2ccc3C4=C[C@@]56NC(=O)[C@]7(CCCN7C5=O)C[C@H]6C(C)(C)C4=[N+]([O-])c3c2C=C1 avrainvillamide | |
| Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1 BMS-536924 | |
| Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 gemcitabine | |
| Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O MST-312 | |
| Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 olaparib | |
| 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 oligomycin A | |
| NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12 indisulam | |
| OC[C@@H]1O[C@@H](CC(=O)NCc2ccncn2)CC[C@H]1NC(=O)c1ccc(F)cc1 BRD-K49290616 | |
| CN1CCN(CC1)C(=O)C[C@@H]1O[C@H](CO)[C@@H](NS(=O)(=O)c2cccc(F)c2)C=C1 BRD-K02492147 | |
| CC(C)(O)CCc1ccc(O)c2c1oc1cc3O[C@H]4OC=C[C@@]4(O)c3c(O)c1c2=O austocystin D | |
| CCOc1cc(cc(Cl)c1OCC(=O)OC)\C=C1C(=O)N(N=C/1C)c1ccccc1 SJ-172550 | |
| C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](CO)O1)c1ccccc1 BRD-K09587429 | |
| ONC(=O)\C=C\c1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(O)c1O pandacostat | |
| CN1CCN(CC1)C(=O)C[C@H]1CC[C@H](NC(=O)c2ccc3OCOc3c2)[C@@H](CO)O1 BRD-K96431673 | |
| Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl cyanoquinoline 11 | |
| Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 tipifarnib-P2 | |
| Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1 tipifarnib-P1 | |
| 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 Compound 23 citrate | |
| 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 nakiterpiosin | |
| Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(Cl)cc1 CCT036477 | |
| COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC tamatinib | |
| CCCCCCC(=O)CCCCCC\C=C\C[C@H](O)[C@@H](O)C(N)(CO)C(O)=O myriocin | |
| COCCn1c2c(C(=O)c3ccccc3C2=O)[n+](Cc2cnccn2)c1C YM-155 | |
| C[C@]1(CCCN1c1nc(Nc2cc(n[nH]2)C2CC2)c2cccn2n1)C(=O)Nc1ccc(F)nc1 BMS-754807 | |
| C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1 BIBR-1532 | |
| CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1 tosedostat | |
| CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C neratinib | |
| Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc2ccccc2)cc1 BRD1812 | |
| CC1=NN(C(=O)C\1=C\c1ccc(o1)-c1cc(C)c(C)cc1[N+]([O-])=O)c1ccc(cc1)C(O)=O BRD8958 | |
| C(Cc1c[nH]c2ccccc12)Nc1cccc(Nc2ccncc2)c1 serdemetan | |
| O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)\C=C\c1cccnc1 daporinad | |
| CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1 MK-1775 | |
| COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC tivozanib | |
| COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O Ko-143 | |
| CONC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cc(OC)cc3OC CR-1-31B | |
| OC(=O)c1ccc(NCc2nc3cc4ccccc4cc3[nH]2)cc1 BRD-K71781559 | |
| 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 BRD-K86535717 | |
| C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O BRD-K48334597 | |
| 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 ML312 | |
| C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C1=O BRD-K04800985 | |
| C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C1=O BRD-K78574327 | |
| C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc(cc2C1=O)N(C)C BRD-K19103580 | |
| CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(cc2C(=O)N(C[C@H]1C)[C@H](C)CO)N(C)C BRD-K30019337 | |
| C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C)Oc2c(NC(=O)c3cc(C)nn3C)cccc2C1=O BRD-K84807411 | |
| COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)Cc4ccc5OCOc5c4)[C@@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1 BRD-K01737880 | |
| CNC[C@@H]1Oc2ccc(NC(=O)C3CCCCC3)cc2C(=O)N(C[C@@H]1C)[C@@H](C)CO BRD-K44224150 | |
| C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2c(NC(=O)c3ccncc3)cccc2C1=O BRD-K75293299 | |
| 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 BRD-K64610608 | |
| C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3OCOc3c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O BRD-K09344309 | |
| C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NS(=O)(=O)c3ccc(F)cc3)cccc2C1=O BRD-K02251932 | |
| C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc2ccccc2N)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O BRD-K55116708 | |
| CNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N(C[C@@H]1C)[C@H](C)CO BRD-K41334119 | |
| CNC[C@@H]1Oc2ccc(NC(=O)CCN3CCOCC3)cc2CC(=O)N(C[C@@H]1C)[C@H](C)CO BRD-K34485477 | |
| CC(C)NC(=O)Nc1ccc2O[C@@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@H](C)CO)C(=O)Cc2c1 BRD-K16147474 | |
| 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 BRD-K29086754 | |
| CNC[C@@H]1Oc2ccc(cc2CC(=O)N(C[C@@H]1C)[C@@H](C)CO)N(C)C BRD-K33199242 | |
| C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ccc(NC(=O)NC3CCCCC3)cc2CC1=O BRD-K52037352 | |
| C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3OCCOc3c2)OCc2cn(CCCC1=O)nn2 BRD-K27986637 | |
| C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O BRD-K37390332 | |
| COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 tandutinib | |
| 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 fulvestrant | |
| 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 bafilomycin A1 | |
| ONC(=O)c1ccncc1 isonicotinohydroxamic acid | |
| CN(C)CCCNc1c2ccccc2n(C)c2nc(=O)n(C)c(=O)c12 HLI 373 | |
| CCC(=O)OCN1C(=O)C=CC1=O NSC19630 | |
| O[As](O)(=O)c1ccc(Cc2ccc(cc2)[As](O)(O)=O)cc1 NSC48300 | |
| COC[C@]1(CO)[N@@]2CC[C@@H](CC2)C1=O PRIMA-1-Met | |
| CN1C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccccc12 isoevodiamine | |
| COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 UNC0638 | |
| 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 cucurbitacin I | |
| COc1ccccc1-c1cccc(c1)-c1nc(cc2CN([C@@H](CCO)c12)[S@@](=O)C(C)(C)C)C(=O)NCc1ccncc1 BRD-K50799972 | |
| CN(C)CC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@H]1CO BRD-K17060750 | |
| CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 barasertib | |
| Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1 linifanib | |
| C[C@@]1(CCCN1)c1nc2c(cccc2[nH]1)C(N)=O veliparib | |
| CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1 saracatinib | |
| CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 afatinib | |
| COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 cediranib | |
| Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl canertinib | |
| COC1=CC(=N\C\1=C/c1[nH]c(C)cc1C)c1cc2ccccc2[nH]1 obatoclax | |
| CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1 masitinib | |
| FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 ZSTK474 | |
| C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C brivanib | |
| OCCn1cc(c(n1)-c1ccncc1)-c1ccc2c(CC\C2=N/O)c1 GDC-0879 | |
| COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 NVP-TAE684 | |
| CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 SNS-032 | |
| CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F PLX-4720 | |
| CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 TGX-221 | |
| COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1 KU-0063794 | |
| Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1 TG-100-115 | |
| O=C1NC(=O)\C(S1)=C\c1ccc2nccc(-c3ccncc3)c2c1 GSK1059615 | |
| CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1 SU11274 | |
| COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 BRD-K88742110 | |
| COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1 LRRK2-IN-1 | |
| CC(=O)NC[C@@H]1C[C@H](CN1)NS(=O)(=O)c1cccc2cncc(C)c12 BRD8899 | |
| NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 EX-527 | |
| O=S(=O)(N1CCCc2ccccc12)c1ccc(cc1)-c1cnc(o1)C1CC1 ELCPK | |
| CCOC(=O)c1c(NC(=O)c2ccc(s2)[N+]([O-])=O)sc2c1CC(C)(C)NC2(C)C NPC-26 | |
| COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c1ccc(cc1)C(=O)OC 1S-3R-RSL-3 | |
| CN(C)CCNC(=O)c1cc2CSc3ccc(Cl)cc3-c2s1 CIL55A | |
| CN(C)CCCNc1nc(CN2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nc2ccccc12 SCH-529074 | |
| CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)-c1csc2ccccc12 StemRegenin 1 | |
| CCOc1ccccc1-c1cc(=O)[nH]c2cc3OCOc3cc12 FQI-2 | |
| Cc1onc(C(=O)N2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1[N+]([O-])=O ML210 | |
| C[As](C)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O darinaparsin | |
| CCC(C)SSc1ncc[nH]1 PX-12 | |
| CN(C)c1ccccc1CN1CCCN(Cc2ccccc2N(C)C)C1c1ccncc1 GANT-61 | |
| COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OCCN(C)CCOc1c(OC)cc(\C=C\C(=O)N2CCC=CC2=O)cc1OC PL-DI | |
| CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)c2ccccc2C(C)(C)C)c(O)c(O)c1O TW-37 | |
| COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C AZD8055 | |
| Fc1ccccc1-c1cc(=O)c2cc3OCOc3cc2[nH]1 CHM-1 | |
| OC[C@H](Cc1ccccc1)Nc1nc(Oc2ccc3CCCc3c2)nc2n(Cc3ccc(cc3)-c3ccccc3)cnc12 QS-11 | |
| Clc1cc(Cl)c(OCC(=O)N\N=C\c2ccc[nH]2)c(Cl)c1 ML239 | |
| CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 salermide | |
| 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 fumonisin B1 | |
| Cc1sc-2c(c1C)C(=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n-21)c1ccc(Cl)cc1 JQ-1 | |
| ONC(=O)c1cccc(c1)C(=O)Nc1ccccc1 BRD-K51490254 | |
| CC(=O)N[C@H]1C[C@H](C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 BRD-K85133207 | |
| Cc1cnc2c(NCCN)nc3ccc(C)cc3n12 BMS-345541 | |
| COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(s3)C#N)c2cc1OC CAY10576 | |
| Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccc(F)cc1N Repligen 136 | |
| COC(=O)c1ccc2c(NC(=O)\C2=C(/Nc2ccc(cc2)N(C)C(=O)CN2CCN(C)CC2)c2ccccc2)c1 nintedanib | |
| C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl crizotinib | |
| COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 foretinib | |
| CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 regorafenib | |
| CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Sc3cccc(NC(=O)C=C)c3)n2)cc1 WZ8040 | |
| FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1 OSI-930 | |
| Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1 MGCD-265 | |
| COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O lenvatinib | |
| COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl YK 4-279 | |
| O=C(CCCCCCCn1cc(nn1)-c1cccnc1)Nc1ccccc1-c1ccccc1 CAY10618 | |
| CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 KU 0060648 | |
| O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O narciclasine | |
| CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O MLN2238 | |
| CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO ISOX | |
| CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 lapatinib | |
| CC(=O)Nc1ccc(cc1)C(=O)Nc1ccc(F)cc1N BRD-K29313308 | |
| COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1 UNC0321 | |
| Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1 SGX-523 | |
| C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1 erismodegib | |
| COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O alisertib | |
| C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 AZD6482 | |
| N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 ruxolitinib | |
| 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 bleomycin A2 | |
| CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 GDC-0941 | |
| Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2nccnc2c1)C(C)(C)C SB-525334 | |
| CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C PHA-793887 | |
| CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 quizartinib | |
| CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 fingolimod | |
| CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 pazopanib | |
| COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1 WZ4002 | |
| CN(C)CC1CN(C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 BRD-K24690302 | |
| COc1ccc(cc1)S(=O)(=O)N(C(=O)C)c2ccccc2C=Cc3cc[n+]([O-])cc3 BRD-K70511574 | |
| CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F PLX-4032 | |
| Cc1n[nH]c2NC3=C([C@@H](c12)c1ccccc1)C(=O)CC(C)(C)C3 BRD-K48477130 | |
| C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F GSK461364 | |
| 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 YL54 | |
| 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 BRD-K20514654 | |
| 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 BRD-K55473186 | |
| Cc1c(oc2ccc3ccccc3c12)[N+]([O-])=O BRD-K28456706 | |
| CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)Nc1cccnc1 STF-31 | |
| OC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ML334 diastereomer | |
| Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1 spautin-1 | |
| FC(F)(F)c1ccc(Nc2nccc(n2)-c2cccc(Cl)c2)cc1 VAF-347 | |
| 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 BRD-A02303741 | |
| COc1ccccc1[C@H]1c2c(NC3=C1C(=O)CC(C)(C)C3)n[nH]c2C(F)(F)F ML320 | |
| 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 tigecycline | |
| CC(C)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O BRD-K34099515 | |
| Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1 PF-543 | |
| CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1 PF-573228 | |
| COc1ccc(\C=C\C(=O)c2c(-c3ccccc3)c3ccccc3[nH]c2=O)cc1 ceranib-2 | |
| CCOC(=O)NC(=O)C(=C\c1ccc(Cl)c(Cl)c1)\C#N FSC231 | |
| CN(C)c1ccc(cc1Br)C1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 968 | |
| CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1 GSK4112 | |
| OC(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1 etomoxir | |
| Cc1c(cc(-c2ccccc2)n1CCCN1CCOCC1)C(=O)Nc1cccc(c1)C(F)(F)F HC-067047 | |
| CC1CC(C)CN(C1)c1cc(Nc2ccccc2C(O)=O)c2C(=O)c3ccccc3-c3onc1c23 IPR-456 | |
| CCOC(=O)c1c(C(=CN)C#N)c2ccc(Cl)c(Cl)c2n1C KH-CB19 | |
| 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 leptomycin B | |
| COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2n(C)c(=O)n(C3CCCC3)c2n1 AZ-3146 | |
| O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc2ccccc2c1 VU0155056 | |
| 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 JQ-1:UNC0638 (2:1 mol/mol) | |
| O=C1O[Pt]OC(=O)C11CCC1.COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 carboplatin:UNC0638 (2:1 mol/mol) | |
| O=C1O[Pt]OC(=O)C11CCC1.ONC(=O)CCCCCCC(=O)Nc1ccccc1 vorinostat:carboplatin (1:1 mol/mol) | |
| C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccncc2)cc1.CN(C)CCCNc1nc(CN2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)nc2ccccc12 serdemetan:SCH-529074 (1:1 mol/mol) | |
| 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 selumetinib:PLX-4032 (8:1 mol/mol) | |
| 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 sirolimus:bortezomib (250:1 mol/mol) | |
| CN(CCc1cc(Br)c(OCCCNc2ncnc3n(C)cnc23)c(Br)c1)C(=O)c1ccc(C)cc1 BRD-K97651142 | |
| 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 vorapaxar | |
| CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)\C=C\c1ccc(cc1)C(O)=O Ch-55 | |
| 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 BRD-K79669418 | |
| 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 BRD-K99584050 | |
| Fc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccccc1Cl)C(=O)Cc1cccs1 BRD-A71883111 | |
| 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 navitoclax:birinapant (1:1 mol/mol) | |
| 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 ISOX:bortezomib (250:1 mol/mol) | |
| Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 selumetinib:GDC-0941 (4:1 mol/mol) | |
| 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 selumetinib:tretinoin (2:1 mol/mol) | |
| ONC(=O)CCCCCCC(=O)Nc1ccccc1.Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO selumetinib:vorinostat (8:1 mol/mol) | |
| 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 selumetinib:JQ-1 (4:1 mol/mol) | |
| 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 selumetinib:BRD-A02303741 (4:1 mol/mol) | |
| 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 tretinoin:navitoclax (4:1 mol/mol) | |
| 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 decitabine:navitoclax (2:1 mol/mol) | |
| O=C1O[Pt]OC(=O)C11CCC1.CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/CO tretinoin:carboplatin (2:1 mol/mol) | |
| Fc1ccc(cc1)-c1n[nH]cc1C=C1SC(=N)N(C1=O)c1nccs1 necrostatin-7 | |
| CCOC(=O)c1ccc(cc1)N1NC(=O)C(=Cc2ccc(o2)[N+]([O-])=O)C1=O PYR-41 | |
| COc1cc2c3n([C@H](C)c4ccccn4)c(=O)[nH]c3cnc2cc1-c1c(C)noc1C I-BET151 | |
| Nc1nc(OCc2cc(Br)cs2)c2[nH]cnc2n1 lomeguatrib | |
| 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 PF-184 | |
| 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 tanespimycin:gemcitabine (1:1 mol/mol) | |
| 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 docetaxel:tanespimycin (2:1 mol/mol) | |
| Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1 selumetinib:MK-2206 (8:1 mol/mol) | |
| 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 navitoclax:PLX-4032 (1:1 mol/mol) | |
| COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC.Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO selumetinib:piperlongumine (8:1 mol/mol) | |
| 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 tanespimycin:bortezomib (250:1 mol/mol) | |
| 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 navitoclax:MST-312 (1:1 mol/mol) | |
| 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 carboplatin:etoposide (40:17 mol/mol) | |
| COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC.Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O piperlongumine:MST-312 (1:1 mol/mol) | |
| 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 navitoclax:gemcitabine (1:1 mol/mol) | |
| CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1 JW-480 | |
| CC1(C)CC=C(c2cnc3ccccc3c2)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O BMS-195614 | |
| CCOc1ccccc1N\N=C1C(=O)N(N=C\1C)c1nc(cs1)-c1ccccc1 BRD-K07442505 | |
| Cc1cs\c(=N/C2CCCCC2)n1\N=C\c1ccc(O)c(O)c1O BRD-K35604418 | |
| CC(C)[C@H](N(CCCN)C(=O)c1ccc(C)cc1)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1 SB-743921 | |
| CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 GSK525762A | |
| 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 navitoclax:pluripotin (1:1 mol/mol) | |
| 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 JQ-1:carboplatin (1:1 mol/mol) | |
| 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 selumetinib:navitoclax (8:1 mol/mol) | |
| 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 selumetinib:decitabine (4:1 mol/mol) | |
| O=C1O[Pt]OC(=O)C11CCC1.Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 decitabine:carboplatin (1:1 mol/mol) | |
| 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 SNX-2112:bortezomib (250:1 mol/mol) | |
| 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 JQ-1:navitoclax (2:1 mol/mol) | |
| 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 JQ-1:MK-0752 (1:1 mol/mol) | |
| 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 BRD-A02303741:navitoclax (2:1 mol/mol) | |
| 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 salermide:PLX-4032 (12:1 mol/mol) | |
| 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 UNC0638:navitoclax (1:1 mol/mol) | |
| 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 BRD-A02303741:carboplatin (1:1 mol/mol) | |
| 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 doxorubicin:navitoclax (2:1 mol/mol) | |
| Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO.COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 selumetinib:UNC0638 (4:1 mol/mol) | |
| 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 alisertib:navitoclax (2:1 mol/mol) | |
| 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 navitoclax:sorafenib (1:1 mol/mol) | |
| 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 navitoclax:piperlongumine (1:1 mol/mol) | |
| O=C1c2ccccc2-c2nc3nonc3nc12 SMER-3 | |
| Nc1ncnc2n(cc(-c3cccc(OCc4ccccc4)c3)c12)[C@H]1C[C@H](CN2CCCC2)C1 NVP-ADW742 | |
| Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F clofarabine | |
| 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 vorinostat:navitoclax (4:1 mol/mol) | |
| COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1 XL765 | |
| C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 AZD1480 | |
| COc1ccc(CN2c3nnnn3C3C(C2=O)C2(CCCC2)Cc2ccccc32)cc1 ML258 | |
| CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F SR1001 | |
| 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 bardoxolone methyl | |
| 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 elocalcitol | |
| CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc1ccc(cc1F)C(O)=O BMS-270394 | |
| CC(C)N1C(\C=C\C(O)CC(O)CC(O)=O)C(c2ccccc12)c1ccc(F)cc1 fluvastatin | |
| COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N3C[C@H](C)N[C@H](C)C3)n[nH]2)cc(OC)c1 AZD4547 | |
| 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 hyperforin | |
| O=C(Nc1nc2ccc(NC(=O)C34C[C@H]5C[C@H](C[C@H](C5)C3)C4)cc2s1)c1ccccc1 NVP-231 | |
| OC(=O)CC[C@H]1CC[C@@](CC1)(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 MK-0752 | |
| CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@H]1c2ccccc2CCN(C)C1=O semagacestat | |
| Cc1ccccc1C(N(C(=O)Cc1ccncc1)c1cccc(F)c1)C(=O)NC1CCCCC1 BRD-A05715709 | |
| COc1cc(Nc2cc(nc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl bosutinib | |
| 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 temsirolimus | |
| C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 abiraterone | |
| 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 docetaxel | |
| COc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O nelarabine | |
| COc1cc(OC)c(\C=C\S(=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 rigosertib | |
| Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1 AT7867 | |
| OCC(O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F PD318088 | |
| C[C@H]1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)C[C@@H](C)O1 KU-60019 | |
| Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C BIRB-796 | |
| O=C(N1CCNCC1)c1ccc(cc1)\C=C\c1n[nH]c2ccccc12 KW-2449 | |
| Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12 RAF265 | |
| OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 silmitasertib | |
| 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 BRD-K03911514 | |
| 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 BRD-K16130065 | |
| O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1 momelotinib | |
| CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 CAL-101 | |
| Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(cc12)C(N)=O LY-2157299 | |
| CCC[C@H](NC(=O)C(=C\c1cccc(Br)n1)\C#N)c1ccccc1 WP1130 | |
| COc1cccc2cc([nH]c12)-c1nc([C@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12 OSI-027 | |
| Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1 NVP-BSK805 | |
| COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(Cl)cc2)c1F erlotinib:PLX-4032 (2:1 mol/mol) | |
| CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO PIK-93 | |
| NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 AZD7762 | |
| 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 birinapant | |
| O=C(Cc1ccc(cn1)-c1ccc(OCCN2CCOCC2)cc1)NCc1ccccc1 KX2-391 | |
| OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 3-Cl-AHPC | |
| 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 BRD-K58730230 | |
| 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 BRD-K27188169 | |
| CC(C)CNc1ccnc(NCc2csc(n2)-c2ccccc2)n1 KHS101 | |
| CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c1ccccc21)C(=O)c1ccc(F)c(F)c1 WAY-362450 | |
| 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 JQ-1:vorinostat (2:1 mol/mol) | |
| 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 BRD-K13185470 | |
| COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3)c2cc1OC cabozantinib | |
| 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 crizotinib:PLX-4032 (2:1 mol/mol) | |
| 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 BRD-M00053801 | |
| COc1cc(cc(c1)C(F)(F)F)-c1ncn(\C=C/C(=O)OC(C)C)n1 KPT185 | |
| Brc1ccc(cc1)\C=C1/SC(NS(=O)(=O)c2cccc3ccccc23)=NC1=O pitstop2 | |
| Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1 R428 | |
| Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C ibrutinib | |
| CN1CCN(CC1)c1nc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc2n1 sotrastaurin | |
| C[C@H](\N=C(\NC#N)Nc1cccc2ncccc12)c1ccccc1 A-804598 | |
| 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 BRD-K27188169:navitoclax (2:1 mol/mol) | |
| NC(=O)C1C(=O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C1=O COL-3 | |
| 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 ABT-199 | |
| CC(C)(C#N)c1ccc(cc1)N1C(=O)OCc2cnc3ccc(cc3c12)-c1cnc2ccccc2c1 ETP-46464 | |
| Oc1ccccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(cc(Cl)c1Cl)C(=O)c1ccccc1O marinopyrrole A | |
| COC(=O)\C=C\C(=O)N(O)CCCCNCc1ccc(COC(=O)Nc2cccc3ccccc23)cc1 methylstat | |
| Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F BYL-719 | |
| Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O GSK2636771 | |
| CCOC(=O)C1Cc2ccccc2CN1C(=O)c1ccc(SC)s1 SR8278 | |
| COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1 JW-74 | |
| COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)\C=C\c2ccc(s2)[N+]([O-])=O)cc1 necrosulfonamide | |
| Clc1ccc-2c(c1)C(=O)c1nc(C#N)c(nc-21)C#N HBX-41108 | |
| CCCCCCCCCC[C@H]1[C@H](CCc2ccc(OC)c(OC)c2)OC1=O palmostatin B | |
| COc1ccc(cc1)C1(CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCOCC1 JW-55 | |
| CC1=NN(C(=O)C\1=N\Nc1ccccc1C(O)=O)c1nc(cs1)-c1ccccc1 BRD-K03536150 | |
| CCN(CC)c1ccc(cc1)C1=NNC(=O)C[C@H]1C BRD-K99006945 | |
| O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23 tivantinib | |
| CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O trametinib | |
| CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O RO4929097 | |
| CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO dinaciclib | |
| C[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(s1)C(=O)Nc1cc(c(Cl)cn1)C(F)(F)F MLN2480 | |
| CC(C)n1ncc2c(cc(Br)cc12)C(=O)NCc1c(C)cc(C)[nH]c1=O BRD-K51831558 | |
| CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O istradefylline | |
| CCCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 MI-2 | |
| CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCNCC1)C(=O)NCc1c(C)cc(C)[nH]c1=O BRD-K42260513 | |
| CN1CC[C@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl alvocidib | |
| COC(=O)c1cc(CN2CCN(CC2)C(N)=N)cc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(N)=N CBB-1007 | |
| CCOC(=O)CCNc1cc(nc(n1)-c1ccccn1)N1CCc2ccccc2CC1 GSK-J4 | |
| Cc1ccc(cc1)C(NC(=O)c1ccccc1)c1ccc2cccnc2c1O BRD-A86708339 | |
| CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c1ccccc1 PF-3758309 | |
| CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F dabrafenib | |
| CC1(C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(NCCSc2ccccc2)c(c1)[N+]([O-])=O SZ4TA2 | |
| CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O AT13387 | |
| COc1ccc(cc1)C1C(C(=O)Nc2ccccc2)=C(C)N=c2s\c(=C/c3cn(Cc4ccccc4)c4ccccc34)c(=O)n12 BCL-LZH-4 | |
| OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1 skepinone-L | |
| COc1ccc(cc1)C#CC1=CCCN(C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)C1=O BRD-K34222889 | |
| Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1 PF-4800567 hydrochloride | |
| 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 avicin D | |
| 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 BRD9876:MK-1775 (4:1 mol/mol) | |
| Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1 BRD-K30748066 | |
| CC1(O)CC(C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26 linsitinib | |
| CNC(C)C(=O)NC1CN(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)C(=O)CC(C)C AT-406 | |
| CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12 Dinaciclib | |
| CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C Paclitaxel | |
| C#Cc1cccc(Nc2ncnc3cc(OC)c(OCCCCCCC(=O)NO)cc23)c1 CUDC-101 | |
| CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)CC1OC(n2cc(Br)c3c(N)ncnc32)C(O)C1O SGC0946 | |
| Cn1nnc2c(C(N)=O)ncn2c1=O Temozolomide | |
| c1cn2cc(-c3ccc4cn[nH]c4c3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1 Entospletinib | |
| CN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1 Tubastatin A | |
| COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O Teniposide | |
| CCCCC(C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 Z-LLNle-CHO | |
| CCNC(=O)Nc1ncc(-c2cc(-c3c(C)cc(OC)cc3C)nc(-c3cnccn3)n2)s1 LIMK1 inhibitor BMS4 | |
| Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O Fludarabine | |
| CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21 GSK690693 | |
| Cc1c(CN2CCN(C(=O)[C@H](C)O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12 Apitolisib | |
| Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1 Leflunomide | |
| Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl FH535 | |
| NCCOc1cc(C(=O)Nc2cc(OCCN)c3ccccc3n2)nc(C(=O)Nc2cc(OCCN)c3ccccc3n2)c1 Pyridostatin | |
| Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21 Selumetinib | |
| COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)C)O4 Dihydrorotenone | |
| Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1 AZ960 | |
| O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl CI-1040 | |
| CN1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c23)CC1 NSC-207895 | |
| CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 Rucaparib | |
| Br.C=C1N(CCCCCC(=O)O)c2ccccc2C1(C)C Cetuximab | |
| N#CCCC1CCCCC1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] JW-7-24-1 | |
| c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1 LY2109761 | |
| Nc1cccc(-c2cc3c(Oc4cccc(O)c4)ncnc3[nH]2)c1 TWS119 | |
| Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 Ara-G | |
| CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1 Afatinib | |
| Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O Dactinomycin | |
| Cl.Cl.c1cc(-c2cc(C3CCNCC3)[nH]n2)ccn1 ETP-45835 | |
| COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F Omipalisib | |
| O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccnc(NC2CCC2)c1 GSK591 | |
| COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1 Pilaralisib | |
| C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@]2(C)CCC[C@H](C)[C@@H](O)[C@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1 Epothilone B | |
| C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O Lestaurtinib | |
| O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O Zoledronate | |
| Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)NC(CO)c2cccc(Cl)c2)c1 VX-11e | |
| C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC Thapsigargin | |
| O=c1[nH]cc(F)c(=O)[nH]1 5-Fluorouracil | |
| CNC(=O)c1ccc(Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c3cc[nH]c3n2)nc1 HG-5-113-01 | |
| Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(C#N)cc2F)n[nH]1 Telomerase Inhibitor IX | |
| Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12 FR-180204 | |
| Cc1cccc(Nc2nc(-c3ccncc3)cs2)c1 STF-62247 | |
| O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1 Daporinad | |
| CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 Pyrimethamine | |
| Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1ccnc1C)c1cccc(F)c1 AGI-5198 | |
| NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 Selisistat | |
| COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(CC(O)CO)CC1 Refametinib | |
| CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1 Axitinib | |
| C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O Fulvestrant | |
| CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl Crizotinib | |
| Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C)ccn1 LGK974 | |
| CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1 Tretinoin | |
| Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 Tozasertib | |
| N#CC1=C(N)NC(=C2C(=O)C=CC=C2OCC2CC2)C=C1C1CCNCC1 KIN001-260 | |
| C[C@@H](Nc1cc(F)cc(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12 AZD8186 | |
| CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1Cl HG-5-88-01 | |
| NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O Pevonedistat | |
| CN(C)CCOc1ccc(-c2nc(=c3ccc4c(c3)CCC=4N=O)c(=C3C=CNC=C3)[nH]2)cc1 SB590885 | |
| Cc1cc(C(C)Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1 TGX221 | |
| O=C(C=Cc1ccccc1)NC(NC(=S)Nc1cccc2cccnc12)C(Cl)(Cl)Cl Salubrinal | |
| CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 Vinorelbine | |
| COC(=O)c1ccc2c(C(=Nc3ccc(N(C)C(=O)CN4CCN(C)CC4)cc3)c3ccccc3)c(O)[nH]c2c1 BIBF-1120 | |
| Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnc4)cc3)cc2)ccn1 Wnt-C59 | |
| CC(C)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 MN-64 | |
| CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1 Elesclomol | |
| Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 Torin 2 | |
| CNC(=O)Nc1ccc(-c2nc(N3C[C@@H]4CC[C@H](C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1 WYE-125132 | |
| COc1cc2ncn(-c3cc(OCc4ccccc4S(C)(=O)=O)c(C#N)s3)c2cc1OC GSK319347A | |
| C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 CI-1033 | |
| NC(=O)C(CCC(F)(F)F)N(Cc1ccc(-c2ncon2)cc1F)S(=O)(=O)c1ccc(Cl)cc1 Avagacestat | |
| CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2)cc1 RVX-208 | |
| O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3cnc[nH]3)n2)c1)N1CCCC1 BX-912 | |
| Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2 OTX015 | |
| Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O Pazopanib | |
| Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Dasatinib | |
| Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1 Gemcitabine | |
| O=C(C=Cc1cccc(S(=O)(=O)Nc2ccccc2)c1)NO Belinostat | |
| O=C(O)CCCC[C@H](CCSCc1ccccc1)SCc1ccccc1 CPI-613 | |
| O=[P@]1(N(CCCl)CCCl)NCCCO1 Cyclophosphamide | |
| CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1c2ccccc2C[C@H]1OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1)C1CCCCC1 AZD5582 | |
| C=CC(=O)N1CCCC(Nc2nc(Nc3ccc(N(C)C(=O)CC)cc3)nc3nc[nH]c23)C1 WZ-1-84 | |
| Cc1ccc(-c2c(C(=O)CCl)n(CCCO)c3ncnc(N)c23)cc1 CMK | |
| COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O Alisertib | |
| C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C Bexarotene | |
| CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)cc1[N+](=O)[O-] ABT737 | |
| COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1OC CP466722 | |
| CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1 GSK1070916 | |
| CCNC(=O)C1=C(c2ccc(CN3CCOCC3)cc2)C(=C2C=C(C(C)C)C(O)=CC2=O)ON1 Luminespib | |
| OCC(Cc1ccccc1)Nc1nc(Oc2ccc3c(c2)CCC3)nc2c1ncn2Cc1ccc(-c2ccccc2)cc1 QS11 | |
| O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O PFI3 | |
| CCC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1 WZ4003 | |
| Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21 Enzastaurin | |
| O=C1NCCSc2c1sc1ccc(O)cc21 kb NB 142-70 | |
| O=C1C(=NNc2ccc3cc(S(=O)(=O)O)ccc3c2)C=C(S(=O)(=O)O)c2cccnc21 NSC-87877 | |
| Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1 Alpelisib | |
| CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O Bortezomib | |
| Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)cc(N2CCOCC2)c1 JNK-9L | |
| CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 Venotoclax | |
| CCN1CCC(n2cc(CNc3cc(Cl)c4ncc(C#N)c(Nc5ccc(F)c(Cl)c5)c4c3)nn2)CC1 KIN001-266 | |
| CC[C@@H](C)CNCC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1 RU-SKI 43 | |
| O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1 BX795 | |
| COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1 PF-00299804 | |
| O=C(C=Cc1ccc(CN(CCO)CCc2c[nH]c3ccccc23)cc1)NO Dacinostat | |
| Cc1ccc(Nc2cc(-c3cccc(N4C(=O)c5ccccc5C4=O)c3)ncn2)cc1NS(C)(=O)=O KIN001-270 | |
| CCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(/C(N)=N/C3CCS(=O)(=O)CC3)cc2c1=O I-BRD9 | |
| CCc1cc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1 GSK1904529A | |
| CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 Venetoclax | |
| CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O Shikonin | |
| NC1=NC(=O)C(=Cc2ccc(O)cc2)S1 Mirin | |
| CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1 Topotecan | |
| CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21 I-BET-762 | |
| COC(=O)NC1(NC(=O)OC)NC(=O)c2cc(OC)c(OC)c(OC)c2N1 Gallibiscoquinazole | |
| COc1cc(N2CCN(C)CC2)ccc1Nc1nc(N)c(C(=O)c2c(Cl)cccc2Cl)s1 XMD14-99 | |
| CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1 Veliparib | |
| CC1=C2CC3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C Cyclopamine | |
| CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1 Saracatinib | |
| Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)OC(C)(C)C)c1nnc(C)n1-2 JQ1 | |
| O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1 AKT inhibitor VIII | |
| Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1 Buparlisib | |
| Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 Imatinib | |
| CN(C)Cc1cccc(NC(=C2C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1 BIX02189 | |
| COCCNCCCn1c(C(=O)CF)c(-c2ccc(C)cc2)c2c(N)ncnc21 FMK | |
| CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1 Ribociclib | |
| Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21 GSK2606414 | |
| COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C XMD8-85 | |
| NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 OSU-03012 | |
| c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1 Serdemetan | |
| COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O Nelarabine | |
| Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1 MK-8776 | |
| O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 Mitoxantrone | |
| NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1 AZD5363 | |
| COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C Temsirolimus | |
| Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl Uprosertib | |
| CCC(Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 Idelalisib | |
| CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1 LCL161 | |
| CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1 GSK429286A | |
| COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1 GW-2580 | |
| S=C(NCc1ccc2c(c1)OCO2)N1CCN(c2ncnc3c2oc2ccccc23)CC1 Amuvatinib | |
| CCCC(=O)OCc1ccc(OC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc1 VNLG/124 | |
| C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5ccc(NS(C)(=O)=O)cc5)cc4c32)ccc1C QL-XII-61 | |
| 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 SNX-2112 | |
| O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO ACY-1215 | |
| O=C(O)CSc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1O UMI-77 | |
| CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1 HG6-64-1 | |
| Cc1cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC[C@H](C)c3ccccc3)c(O)c(O)cc2c1O Sabutoclax | |
| Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 PI-103 | |
| CC(O)=C(C#N)C(=O)Nc1cc(Br)ccc1Br LFM-A13 | |
| Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-n2ccnn2)cc1 ML323 | |
| CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1cnn2C(C)C GSK343 | |
| NC(N)=N/C(N)=N\CCc1ccccc1 Phenformin | |
| Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1 SB505124 | |
| CC(C)C(C(=O)Nc1ccc(C(=O)NO)cc1)c1ccccc1 AR-42 | |
| COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1 Nutlin-3a (-) | |
| NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F VX-702 | |
| CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C1CC(CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1 EPZ5676 | |
| CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1 PD173074 | |
| C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 Savolitinib | |
| CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1 THZ-2-102-1 | |
| C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C QL-X-138 | |
| COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1 Zibotentan | |
| CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C Pelitinib | |
| CC(=O)OC1C(C)OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)C(O)C1OC(C)=O SL0101 | |
| CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 Flavopiridol | |
| CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 Tenovin-6 | |
| CC\C(=C(\c1ccc(\C=C\C(=O)O)cc1)/c2ccc3[nH]ncc3c2)\c4ccc(F)cc4Cl GDC0810 | |
| CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1 Acetalax | |
| N[C@@H]1CCCN(c2c(/C=C3/SC(=O)NC3=O)cccc2-c2ccccc2)C1 Kobe2602 | |
| CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 Vincristine | |
| N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 Ruxolitinib | |
| Nc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(Cl)c5)c4c3c2)cn1 QL-VIII-58 | |
| Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12 Ponatinib | |
| Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1 Masitinib | |
| C=CC(=O)N1CCc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21 QL-XII-47 | |
| Cn1ncnc1C1C2=c3c(cc(F)cc3=NC1c1ccc(F)cc1)C(=O)NN2 Talazoparib | |
| O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1C1CCCC1 GSK650394 | |
| CC(C)N(CCCNC(=O)Nc1ccc(C(C)(C)C)cc1)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O EPZ004777 | |
| C/C(=N\NC(=S)N1CCC1)c1ccccn1 NSC319726 | |
| CCC(C)C(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CO)NC(=O)C(N)C(C)O)C(C)O)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O TW 37 | |
| C=CC(=O)Nc1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccno3)c2)cc(C(F)(F)F)c1 QL-XI-92 | |
| O=C(/C=C/N1C[C@H]2C[C@@H]1CN2c1ccccn1)c1ccccc1O PFI-3 | |
| COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1 Foretinib | |
| COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C Rapamycin | |
| N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1 AS601245 | |
| C=C1C(=O)OC(CCCCCCCC)C1C(=O)O C-75 | |
| O=C(Nc1ccc(Nc2nccc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1)Nc1cccc(C(F)(F)F)c1 CD532 | |
| CCOc1nc(NC(=O)Cc2cc(OC)ccc2OC)cc(N)c1C#N JNK Inhibitor VIII | |
| COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC Cabozantinib | |
| C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O Tanespimycin | |
| COC[C@]1(CO)C(=O)C2CCN1CC2 PRIMA-1MET | |
| CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC Irinotecan | |
| CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1 Ulixertinib | |
| NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12 Niraparib | |
| OCCCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1 CGP-60474 | |
| COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Bosutinib | |
| Oc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 Sphingosine Kinase 1 Inhibitor II | |
| COC(=O)C(CCSC)NC(=O)c1ccc(NCC(N)CS)cc1-c1ccccc1 FTI-277 | |
| COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C AZD3759 | |
| Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1 Taselisib | |
| CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1 NG-25 | |
| Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C Tipifarnib | |
| CC(C)(C)OC(=O)Nc1ccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)cc1 CAY10603 | |
| COc1cc(O)c2c(c1)C=CCC(O)C(O)C(=O)C=CCC(C)OC2=O (5Z)-7-Oxozeaenol | |
| CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O Embelin | |
| CCOc1ccccc1N/N=C1/C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C BAM7 | |
| CC1(O)CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1 Linsitinib | |
| NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 AT13148 | |
| Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 Fedratinib | |
| Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C NVP-BHG712 | |
| N=c1nc(N2CCCCC2)cc(N)n1O Cisplatin | |
| CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 Mitomycin-C | |
| O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O IOX2 | |
| CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 Methotrexate | |
| CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1 Ipatasertib | |
| O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccsc1 AGI-6780 | |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 Doxorubicin | |
| COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(CNC(C)C(C)(C)C)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1 BMS-509744 | |
| CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 Tamoxifen | |
| CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 Lapatinib | |
| CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1 Trichostatin A | |
| CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 VE821 | |
| C=C1C(=O)O[C@H]2C[C@@H]1CC[C@@]1(C)O[C@@H]1CC/C(C)=C\CC[C@@]2(C)O Sinularin | |
| Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1 Panobinostat | |
| Ic1cccc(CSc2nnc(-c3ccncc3)o2)c1 KIN001-042 | |
| NC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 GNF-2 | |
| C[C@@H]1COCCN1c1cc(C2([S@](C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1 AZD6738 | |
| NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N AICA Ribonucleotide | |
| COC1(c2sc3c(N4CCOCC4)nc(-c4cnc(N)nc4)nc3c2C)COC1 GNE-317 | |
| CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1 Vismodegib | |
| Cc1[nH]nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12 A-443654 | |
| Cc1csc(=NC2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O MIM1 | |
| O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F PD0325901 | |
| NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O S-Trityl-L-cysteine | |
| CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1 TAK-715 | |
| COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)C(C)CC(=O)N2C NPK76-II-72-1 | |
| Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1 Pemetrexed | |
| CCNc1cc(NC2CCC(O)CC2)nc(Nc2ccc3c(ccn3Cc3ccccc3)c2)n1 CGP-082996 | |
| C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 Erlotinib | |
| CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1 Trametinib | |
| COCC(=O)NCC=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 CP724714 | |
| COc1cc2c(cc1NS(=O)(=O)c1ccc(Br)cc1C)n(C)c(=O)n2C OF-1 | |
| CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1 ARRY-520 | |
| COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 PFI-1 | |
| C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 Ibrutinib | |
| Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl Afuresertib | |
| COCC[n+]1c2c(n(Cc3cnccn3)c1C)C(=O)c1ccccc1C2=O Sepantronium bromide | |
| Cc1[nH]c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCCC1CN1CCCC1 PHA-665752 | |
| CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 Sorafenib | |
| CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(N)nc21 Voxtalisib | |
| CC(N)c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1.Cl Y-39983 | |
| C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C Osimertinib | |
| CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C Docetaxel | |
| O=c1nc(-c2ccc(C(F)(F)F)cc2)[nH]c2c1CSCC2 XAV939 | |
| O=C(NC(COc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O KIN001-244 | |
| COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Midostaurin | |
| COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC WHI-P97 | |
| COc1cc(/C=C/C(=O)N2CCC=CC2=O)cc(OC)c1OC Piperlongumine | |
| CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1 Pictilisib | |
| O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1 AS605240 | |
| Cn1cc(C=C2C(=O)Nc3cccnc32)c2ccccc21 GW441756 | |
| COc1ccc(Cn2ccc3ccc(C(=O)NO)cc32)cc1 PCI-34051 | |
| CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Alectinib | |
| CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl FTY-720 | |
| Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3nccnc3c2)n1 SB52334 | |
| CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 Camptothecin | |
| Cn1cc(C2=C(c3ccc(Cl)cc3Cl)C(=O)NC2=O)c2ccccc21 SB216763 | |
| O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12 NU7441 | |
| O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 T0901317 | |
| COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Gefitinib | |
| CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(C2CC2)c1=O eEF2K Inhibitor, A-484954 | |
| Cc1nnc(-c2ccc(N3CCC(Oc4cc(F)ccc4Cl)CC3)nn2)o1 CAY10566 | |
| Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 Linifanib | |
| CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21 GSK269962A | |
| CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C XMD8-92 | |
| COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC GW843682X | |
| COc1ccc(-n2c(SCCCN3C(=O)c4cccc5cccc(c45)C3=O)nnc2-c2ccncc2)cc1 WIKI4 | |
| CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC(CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1 Navitoclax | |
| CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O PF-562271 | |
| CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21 Motesanib | |
| COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CCC(=O)N2C(C)C XMD11-85h | |
| COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 YK-4-279 | |
| CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 A-83-01 | |
| CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C Sunitinib | |
| CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1 CZC24832 | |
| C[C@H](Nc1ncnc2nc[nH]c12)c1cc2ccc(F)cc2nc1-c1ccccn1 AMG-319 | |
| COC(=O)CNC(=O)C(=O)OC DMOG | |
| CNCc1ccc(-c2cc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)on2)cc1 VE-822 | |
| CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1 ZG-10 | |
| COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1 MPS-1-IN-1 | |
| COc1cc(C2c3cc4c(cc3C(OC3OC5COC(C)OC5C(O)C3O)C3COC(=O)C23)OCO4)cc(OC)c1O Etoposide | |
| Cl.Cl.O=c1cc(CN2CCOCC2)occ1OCCCCCSc1ccnc2cc(C(F)(F)F)ccc12 EHT-1864 | |
| C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1 AST-1306 | |
| Oc1c(F)cc(-c2cnccc2-c2ccc(N3CCOCC3)cc2)cc1F LJI308 | |
| Nc1ccc(C(=O)Nc2cccc(-c3nc(N4CCOCC4)c4oc5ncccc5c4n3)c2)cn1 YM201636 | |
| COc1cc(=C2C=c3ccccc3=N2)[nH]c1=Cc1[nH]c(C)cc1C.CS(=O)(=O)O Obatoclax Mesylate | |
| CCC1=CC(=C2NNC(C)=C2c2ccc3c(c2)OCCO3)C(=O)C=C1O CCT-018159 | |
| COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@@H](N)[C@H](O)[C@H](C)O1 Epirubicin | |
| COc1cc2c(NC3CCN(C(C)C)CC3)nc(N3CCC(F)(F)CC3)nc2cc1OCCCN1CCCC1 UNC0642 | |
| Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 Nilotinib | |
| COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1 ZM447439 | |
| Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1 Brivanib, BMS-540215 | |
| C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)CC1=C[C@@H](C[C@@]3(C)O[C@H]23)OC1=O Elephantin | |
| O=C1C(=Cc2cccs2)CCC1=Cc1cccs1 CCT007093 | |
| Cc1cc(N2C[C@H](C)N[C@H](C)C2)ncc1-c1ccc(-c2nc(=O)c3ccn(C)c3[nH]2)cc1 AZ6102 | |
| Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Entinostat | |
| O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O IMD-0354 | |
| Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1 Bleomycin | |
| O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21 Wee1 Inhibitor | |
| O=C(Nc1cccnc1)c1cc(-c2ccnc(F)c2)ccc1OCc1ccccc1 GSK2578215A | |
| NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1 PRT062607 | |
| CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Seliciclib | |
| CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4CC(=CC(=O)OC)CC(C=CC(C)(C)C1(O)O2)O4)O3 Bryostatin 1 | |
| Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccccc3)SCC4)sc2c1 IWP-2 | |
| Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1 Cytarabine | |
| Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 AZ628 | |
| CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O Palbociclib | |
| Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1 JNJ38877605 | |
| CCc1cncnc1N1CCN(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 PF-4708671 | |
| CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 Vinblastine | |
| CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1 Sapitinib | |
| COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C A-770041 | |
| CC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1 P22077 | |
| CCC(=O)OCN1C(=O)C=CC1=O MIRA-1 | |
| CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1 Dabrafenib | |
| O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 RO-3306 | |
| O=C(CCCCCCC(=O)Nc1ccccc1)NO Vorinostat | |
| O=C(Nc1ccc2[nH]nc(-c3ccncc3)c2c1)[C@@H]1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1 SCH772984 | |
| COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1 Cediranib | |
| C=C1C(=O)OC2C1CCC(C)=CCCC1(C)OC21 Parthenolide | |
| O=C(NC1CCNCC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl AT-7519 | |
| Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](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)c1cnc[nH]1 Bleomycin (50 uM) | |
| O=C(NC1CC1)c1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1 XMD13-2 | |
| O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 UNC1215 | |
| Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O Lenalidomide | |
| O=C(Nc1cccc(Nc2ncc(Br)c(NCCc3c[nH]cn3)n2)c1)N1CCCC1 LDN-193189 | |
| C=CC(=O)Nc1cccc(Nc2nc(NC3CCC(N(C)C)CC3)nc3c2ncn3C(C)C)c1 WZ3105 | |
| O=NN(CCCl)C(=O)NCCCl Carmustine | |
| COc1ccc(-c2cc3nccn3c(Nc3ncccc3C(N)=O)n2)cc1OC.Cl.Cl BAY-61-3606 | |
| Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21 Dactolisib | |
| Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 IPA-3 | |
| COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1 WH-4-023 | |
| NCc1ccc(OCCCc2sc(-c3ccc4c(c3)/C(=N/Nc3nc5ccccc5s3)CCC4)nc2C(=O)O)cc1 WEHI-539 | |
| O=C([O-])C(=O)[O-].[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+4] Oxaliplatin | |
| O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1 Olaparib | |
| COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC Tivozanib | |
| CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1 Quizartinib | |
| CS(=O)(=O)O.Cc1ccc(C(=O)N(CCCN)C(c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1 Ispinesib Mesylate | |
| CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 Bicalutamide | |
| Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 Doramapimod | |
| Cc1cnc(CNC(=O)c2c(=O)c3ccc(N4CCCN(C)CC4)nc3n3c2sc2ccccc23)cn1 CX-5461 | |