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Q07820 | MCL1_HUMAN | Induced myeloid leukemia cell differentiation protein Mcl-1 (MCL1)

3D structures mapped by conservation among orthologs

[ Domain: "Bcl-2 inhibitors of programmed cell death" // Bcl-2 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4468645 OBDepict Cl O N H H H OH O N H S O O H CH 3 Ki = 0.04 nM 585.17 C[C@@H]1CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O Homo sapiens CHEMBL4378467 single protein format
CHEMBL4560418 OBDepict H 3 C H S O O N H O H HO H N H O Cl Ki = 0.05 nM 599.19 CC[C@@H]1CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O Homo sapiens CHEMBL4378467 single protein format
CHEMBL4476472 OBDepict Cl O N H H H OH O N H S O O H CH 3 H CH 3 Ki = 0.051 nM 599.19 C[C@H]1C/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS(=O)(=O)[C@@H]1C Homo sapiens CHEMBL4356587 single protein format
CHEMBL4542646 OBDepict Cl O N H H H HO OH O OH O N H 3 C Ki = 0.1 nM 595.14 CN1CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)O)CC1=O Homo sapiens CHEMBL4356587 single protein format
CHEMBL4465718 OBDepict Cl O N H H H OH O N H S O O H CH 3 Ki = 0.14 nM 587.18 C[C@@H]1CCCC[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)C(=O)NS1(=O)=O Homo sapiens CHEMBL4378467 single protein format
CHEMBL4561691 OBDepict Cl O N OH O OH O N CH 3 Ki = 0.5 nM 539.07 CN1C/C=C/CCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)O)CC1=O Homo sapiens CHEMBL4356587 single protein format
CHEMBL4542646 OBDepict Cl O N H H H HO OH O OH O N H 3 C IC50 = 0.6 nM 595.14 CN1CC/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)O)CC1=O Homo sapiens CHEMBL4356586 single protein format
CHEMBL4460664 OBDepict Cl O N H H H HO OH O OH O N H 3 C Ki = 1.0 nM 597.15 CN1CCCC[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@](O)(C(=O)O)CC1=O Homo sapiens CHEMBL4356587 single protein format
CHEMBL4452403 OBDepict Cl O N H H H HO OH O HO O N CH 3 Ki = 1.0 nM 581.11 CN1C/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)O)CC1=O Homo sapiens CHEMBL4356587 single protein format
CHEMBL4561691 OBDepict Cl O N OH O OH O N CH 3 IC50 = 1.7 nM 539.07 CN1C/C=C/CCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)O)CC1=O Homo sapiens CHEMBL4356586 single protein format
CHEMBL3426333 OBDepict CH 3 Cl O H 3 C N O OH Cl Ki = 3.0 nM 432.35 Cc1cc(OCCCc2c(C(=O)O)n3c4c(c(Cl)ccc24)CCC3)cc(C)c1Cl Homo sapiens CHEMBL3429294 single protein format
CHEMBL1672082 OBDepict N O N S NH 2 IC50 = 5.0 nM 353.41 N#CC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(N)cc4)ccc2c13 Homo sapiens CHEMBL1677786 single protein format
CHEMBL4452403 OBDepict Cl O N H H H HO OH O HO O N CH 3 IC50 = 5.0 nM 581.11 CN1C/C=C/[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@@](O)(C(=O)O)CC1=O Homo sapiens CHEMBL4356586 single protein format
CHEMBL4162415 OBDepict CH 3 N N CH 3 CH 3 N N O HO O O IC50 = 5.96 nM 594.76 CCc1nn(C)c(CC)c1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)n(CCN3CCOCC3)c12 Homo sapiens CHEMBL4147743 assay format
CHEMBL3426334 OBDepict CH 3 Cl O H 3 C N O OH O Cl Ki = 9.0 nM 434.32 Cc1cc(OCCCc2c(C(=O)O)n3c4c(c(Cl)ccc24)OCC3)cc(C)c1Cl Homo sapiens CHEMBL3429294 single protein format
CHEMBL3785235 OBDepict CH 3 H 3 C N H O S HN O O O N H O Cl H 3 C H 3 C Cl Ki = 10.0 nM 582.55 Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)CC(C)C)[nH]c3cc(Cl)ccc23)cc(C)c1Cl Homo sapiens CHEMBL3789421 assay format
CHEMBL4444429 OBDepict Cl O N O N H S O O O IC50 = 10.0 nM 533.09 O=C1NS(=O)(=O)CCOCCCCCCN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc1cc32 Homo sapiens CHEMBL4378467 single protein format
CHEMBL4544042 OBDepict OH O HO N O Cl IC50 = 10.0 nM 441.95 O=C(O)C(O)c1ccc2c(c1)N(CC1CCC1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2 Homo sapiens CHEMBL4356586 single protein format
CHEMBL2312470 OBDepict NH 2 S N N H O IC50 = 10.0 nM 461.59 Nc1ccc(Sc2ccc3c4c(cccc24)C2=NC(=O)C(NCCCc4ccccc4)=C23)cc1 Homo sapiens CHEMBL2318342 single protein format
CHEMBL3393621 OBDepict Cl N Cl O Cl N Cl H O OH OH Ki = 10.1 nM 510.16 O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccccc2O)cc(Cl)c1Cl Homo sapiens CHEMBL4398459 single protein format
CHEMBL4460664 OBDepict Cl O N H H H HO OH O OH O N H 3 C IC50 = 11.0 nM 597.15 CN1CCCC[C@H](O)[C@@H]2CC[C@H]2CN2C[C@@]3(CCCc4cc(Cl)ccc43)COc3ccc(cc32)[C@](O)(C(=O)O)CC1=O Homo sapiens CHEMBL4356586 single protein format
CHEMBL4558364 OBDepict H 3 C Cl O H 3 C N O HN Cl H 3 C N CH 3 N CH 3 Ki = 12.0 nM 539.51 Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCNC3=O)cc(C)c1Cl Homo sapiens CHEMBL4385917 single protein format
CHEMBL2180320 OBDepict O S O OH OH CH 3 H 3 C Ki = 13.0 nM 390.46 CC(C)c1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1 Homo sapiens CHEMBL2188686 single protein format
CHEMBL3786051 OBDepict O HN N S H O O O CH 3 N H 3 C CH 3 Cl Ki = 14.0 nM 588.13 Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccnc4C)cccc23)cc(C)c1Cl Homo sapiens CHEMBL3789421 assay format
CHEMBL4522764 OBDepict Cl O N NH O S O O CH 3 IC50 = 15.0 nM 489.04 CS(=O)(=O)NC(=O)c1ccc2c(c1)N(CC1CCC1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2 Homo sapiens CHEMBL4356586 single protein format
CHEMBL2312483 OBDepict O N N H N S IC50 = 15.0 nM 439.58 O=C1N=C2C(=C1NCCCc1ccccc1)c1ccc(N3CCSCC3)c3cccc2c13 Homo sapiens CHEMBL2318342 single protein format
CHEMBL3787025 OBDepict CH 3 N H O CH 3 S N H O O O N H O Cl H 3 C CH 3 Cl Ki = 16.0 nM 596.58 CCC(CC)C(=O)NCCS(=O)(=O)NC(=O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cc(C)c(Cl)c(C)c1 Homo sapiens CHEMBL3789421 assay format
CHEMBL4845828 OBDepict OH S O O H 3 C N H 3 C O OH O H 3 C CH 3 Cl Ki = 18.0 nM 491.99 Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(O)cc3)c(C)c2C(=O)O)cc(C)c1Cl Homo sapiens CHEMBL4836940 assay format
CHEMBL3785823 OBDepict Cl N H HN O S O O O N H O O CH 3 CH 3 Cl Ki = 19.0 nM 592.5 Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccoc3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl Homo sapiens CHEMBL3789421 assay format
CHEMBL4472351 OBDepict CH 3 S N CH 3 N O Cl O H O HO N N H 3 C Ki = 19.0 nM 595.17 CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(=O)O)c2c1-c1ccc(OCCN2CCN(C)CC2)c(Cl)c1C Homo sapiens CHEMBL4375084 cell-based format
CHEMBL4071980 OBDepict HO O O N H O N H O CH 3 N H 3 C N CH 3 H 3 C H 3 C Cl Ki = 19.0 nM 589.09 Cc1cc(OCCCc2c(C(=O)NCc3ccc(C(=O)O)o3)[nH]c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl Homo sapiens CHEMBL4023195 assay format
CHEMBL4850731 OBDepict OH O N CH 3 CH 3 S O O O CH 3 O CH 3 H 3 C Cl Ki = 20.0 nM 518.03 CC(=O)c1ccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1 Homo sapiens CHEMBL4836940 assay format
CHEMBL4063120 OBDepict HO O HN O N H O H 3 C N H 3 C N CH 3 H 3 C H 3 C Cl Ki = 21.0 nM 599.13 Cc1cc(OCCCc2c(C(=O)NCc3ccc(C(=O)O)cc3)[nH]c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl Homo sapiens CHEMBL4023195 assay format
CHEMBL1824190 OBDepict CH 3 CH 3 O N N O Ki = 24.0 nM 378.43 CCC(C)c1ccc(Oc2ccc3c4c(cccc24)C2=NC(=O)C(C#N)=C23)cc1 Homo sapiens CHEMBL1827901 single protein format
CHEMBL4515030 OBDepict Cl O N O HO IC50 = 27.0 nM 411.93 O=C(O)c1ccc2c(c1)N(CC1CCC1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2 Homo sapiens CHEMBL4356586 single protein format
CHEMBL2312469 OBDepict CH 3 HN O N S NH 2 IC50 = 30.0 nM 427.57 CCCCCCNC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(N)cc4)ccc2c13 Homo sapiens CHEMBL2318342 single protein format
CHEMBL3126311 OBDepict OH O N H S O O O N N H 3 C IC50 = 30.0 nM 527.6 Cc1ccc(-c2ccc(C(=O)O)c(NS(=O)(=O)c3ccc(OCCn4cccn4)cc3)c2)c2ccccc12 Homo sapiens CHEMBL3131368 assay format
CHEMBL4872671 OBDepict OH O N O F F F Ki = 30.0 nM 551.56 O=C(O)c1ccccc1-c1cccc2c1c(-c1cccc(C(F)(F)F)c1)cn2CCOc1cccc2ccccc12 Homo sapiens CHEMBL4813624 single protein format
CHEMBL3781822 OBDepict CH 3 Cl O CH 3 N S O O O OH OH Ki = 31.0 nM 588.08 Cc1cc(Oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl Homo sapiens CHEMBL3783777 assay format
CHEMBL4064457 OBDepict CH 3 N CH 3 O N N CH 3 CH 3 N H O OH O H 3 C H 3 C Cl Ki = 32.0 nM 553.1 Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(COCCN(C)C)nn(C)c4C)cccc23)cc(C)c1Cl Homo sapiens CHEMBL4034732 single protein format
CHEMBL4450734 OBDepict CH 3 S N CH 3 N O Cl N HO H O HO N H 3 C Ki = 32.0 nM 581.14 CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(=O)O)c2c1-c1cc(CN2CCN(C)CC2)c(O)c(Cl)c1C Homo sapiens CHEMBL4375084 cell-based format
CHEMBL3780397 OBDepict H 3 C Cl O CH 3 N S O O O OH HO Ki = 33.0 nM 566.07 Cc1cc(Oc2ccc(N(C3CCCC3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl Homo sapiens CHEMBL3783777 assay format
CHEMBL595134 OBDepict N O N N S IC50 = 35.0 nM 331.4 N#CC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13 Homo sapiens CHEMBL1677786 single protein format
CHEMBL4573015 OBDepict H 3 C Cl O H 3 C N O HN Cl CH 3 N H 3 C N H 3 C Ki = 35.0 nM 525.48 Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCNC3=O)cc(C)c1Cl Homo sapiens CHEMBL4385917 single protein format
CHEMBL3786018 OBDepict H 3 C N N H HN O S O O O H 3 C H 3 C Cl Ki = 36.0 nM 588.13 Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c12 Homo sapiens CHEMBL3789421 assay format
CHEMBL2312477 OBDepict CH 3 HN O N N S IC50 = 37.0 nM 391.54 CCCCCNC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13 Homo sapiens CHEMBL2318342 single protein format
CHEMBL2312482 OBDepict CH 3 HN O N N S IC50 = 37.0 nM 405.57 CCCCCCNC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13 Homo sapiens CHEMBL2318342 single protein format
CHEMBL258819 OBDepict O OH OH O HO O N S Ki = 37.0 nM 483.5 O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2nc3ccccc3s2)c(O)c(O)c1O Homo sapiens CHEMBL932184 single protein format
CHEMBL2180318 OBDepict CH 3 S O O HO HO Ki = 38.0 nM 362.41 Cc1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1 Homo sapiens CHEMBL2188686 single protein format
CHEMBL2312476 OBDepict O N NH O H 3 C CH 3 IC50 = 39.0 nM 472.59 CC(C)c1ccc(Oc2ccc3c4c(cccc24)C2=NC(=O)C(NCCCc4ccccc4)=C23)cc1 Homo sapiens CHEMBL2318342 single protein format
CHEMBL4449176 OBDepict Cl O N O HO IC50 = 40.0 nM 397.9 O=C(O)c1ccc2c(c1)N(CC1CCC1)C[C@@]1(CCc3cc(Cl)ccc31)CO2 Homo sapiens CHEMBL4378467 single protein format
CHEMBL4848900 OBDepict Br S O O H 3 C N H 3 C O OH O H 3 C CH 3 Cl Ki = 40.0 nM 554.89 Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3ccc(Br)cc3)c(C)c2C(=O)O)cc(C)c1Cl Homo sapiens CHEMBL4836940 assay format
CHEMBL3426332 OBDepict HO O N S O CH 3 H 3 C Cl Ki = 40.0 nM 429.97 Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCCC3)cc(C)c1Cl Homo sapiens CHEMBL3429294 single protein format
CHEMBL2312473 OBDepict OH O S N N H O IC50 = 42.0 nM 478.57 O=C1N=C2C(=C1NCCCc1ccccc1)c1ccc(Sc3ccc(OO)cc3)c3cccc2c13 Homo sapiens CHEMBL2318342 single protein format
CHEMBL4443085 OBDepict OH O N H O N H 3 C N S CH 3 N N CH 3 CH 3 IC50 = 42.0 nM 593.75 Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)nn1C Homo sapiens CHEMBL4378468 assay format
CHEMBL4443085 OBDepict OH O N H O N H 3 C N S CH 3 N N CH 3 CH 3 Ki = 42.0 nM 593.75 Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)nn1C Homo sapiens CHEMBL4336431 single protein format
CHEMBL4526616 OBDepict CH 3 Cl O H 3 C N O HN CH 3 Cl H 3 C N CH 3 N CH 3 Ki = 43.0 nM 553.53 Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)C(C)CCNC3=O)cc(C)c1Cl Homo sapiens CHEMBL4385917 single protein format
CHEMBL4537357 OBDepict CH 3 S N CH 3 N O N Cl OH H O HO N H 3 C Ki = 46.0 nM 567.11 CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(=O)O)c2c1-c1cc(N2CCN(C)CC2)c(O)c(Cl)c1C Homo sapiens CHEMBL4375084 cell-based format
CHEMBL1672081 OBDepict N O N S Br Ki = 49.0 nM 417.29 N#CC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(Br)cc4)ccc2c13 Homo sapiens CHEMBL1677785 single protein format
CHEMBL2312484 OBDepict CH 3 HN O N S NH 2 IC50 = 50.0 nM 399.52 CCCCNC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(N)cc4)ccc2c13 Homo sapiens CHEMBL2318342 single protein format
CHEMBL4515048 OBDepict CH 3 S N CH 3 N O Cl OH H O HO Ki = 51.0 nM 468.96 CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(=O)O)c2c1-c1ccc(O)c(Cl)c1C Homo sapiens CHEMBL4375084 cell-based format
CHEMBL2180319 OBDepict O S O OH OH Ki = 53.0 nM 348.38 O=C1c2ccc(Sc3ccccc3)cc2C(=O)c2cc(O)c(O)cc21 Homo sapiens CHEMBL2188686 single protein format
CHEMBL3786092 OBDepict Cl N H HN O S O O O N H O O CH 3 CH 3 Cl Ki = 53.0 nM 592.5 Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccco3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl Homo sapiens CHEMBL3789421 assay format
CHEMBL2314383 OBDepict O N H OH N S CH 3 CH 3 IC50 = 54.0 nM 378.5 CC(C)c1ccc(Sc2cnc(O)c(C(=O)NCc3ccccc3)c2)cc1 Homo sapiens CHEMBL2320594 assay format
CHEMBL2314209 OBDepict Cl N H O OH O CH 3 CH 3 Cl Ki = 55.0 nM 392.28 Cc1cc(OCCCc2c(C(=O)O)[nH]c3cc(Cl)ccc23)cc(C)c1Cl Homo sapiens CHEMBL2320307 assay format
CHEMBL2180317 OBDepict Br S O O OH OH Ki = 56.0 nM 427.27 O=C1c2ccc(Sc3ccc(Br)cc3)cc2C(=O)c2cc(O)c(O)cc21 Homo sapiens CHEMBL2188686 single protein format
CHEMBL4519497 OBDepict N O N N S Ki = 58.0 nM 333.42 N#CC1=C2C3=CC=C(N4CCSCC4)C4=CC=CC(C2=NC1=O)C43 Homo sapiens CHEMBL4398459 single protein format
CHEMBL4176472 OBDepict O O N N CH 3 H 3 C N H O HO O IC50 = 59.5 nM 573.65 Cc1c(-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)c(COc2cccc(C=O)c2)nn1C Homo sapiens CHEMBL4147743 assay format
CHEMBL3126310 OBDepict HO O HN S O O O N O CH 3 IC50 = 60.0 nM 560.67 Cc1ccc(-c2ccc(C(=O)O)c(NS(=O)(=O)c3ccc(OCCCN4CCOCC4)cc3)c2)c2ccccc12 Homo sapiens CHEMBL3131368 assay format
CHEMBL4865403 OBDepict Br S O O H 3 C N H 3 C O OH O H 3 C CH 3 Cl Ki = 60.0 nM 554.89 Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3cccc(Br)c3)c(C)c2C(=O)O)cc(C)c1Cl Homo sapiens CHEMBL4836940 assay format
CHEMBL3426324 OBDepict OH O N S O O O Ki = 61.0 nM 449.53 O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCCS3(=O)=O Homo sapiens CHEMBL3429294 single protein format
CHEMBL595134 OBDepict N O N N S Ki = 62.0 nM 331.4 N#CC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13 Homo sapiens CHEMBL1677785 single protein format
CHEMBL3426331 OBDepict OH O N O O CH 3 H 3 C Cl Ki = 65.0 nM 399.87 Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)OCC3)cc(C)c1Cl Homo sapiens CHEMBL3429294 single protein format
CHEMBL3785666 OBDepict O NH H 3 C CH 3 S N H O O O N H O Cl H 3 C H 3 C Cl Ki = 66.0 nM 568.52 Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C(C)C)[nH]c3cc(Cl)ccc23)cc(C)c1Cl Homo sapiens CHEMBL3789421 assay format
CHEMBL2314502 OBDepict Cl N H O OH O Ki = 66.0 nM 383.88 O=C(O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2c1CCCC2 Homo sapiens CHEMBL2320307 assay format
CHEMBL4555113 OBDepict H 3 C Cl O H 3 C N O N H H CH 3 Cl H 3 C N H 3 C N CH 3 Ki = 67.0 nM 539.51 Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)[C@H](C)CNC3=O)cc(C)c1Cl Homo sapiens CHEMBL4385918 single protein format
CHEMBL4083318 OBDepict O NH N H O O O HO H 3 C H 3 C Cl Ki = 69.0 nM 480.95 Cc1cc(OCCCc2c(C(=O)NCc3ccc(C(=O)O)o3)[nH]c3ccccc23)cc(C)c1Cl Homo sapiens CHEMBL4023195 assay format
CHEMBL4439875 OBDepict CH 3 HN N O Cl CH 3 N H 3 C N O CH 3 H 3 C H 3 C Cl Ki = 70.0 nM 553.53 Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCC(C)NC3=O)cc(C)c1Cl Homo sapiens CHEMBL4385917 single protein format
CHEMBL4848433 OBDepict H 3 C S O O CH 3 N H 3 C O HO O H 3 C CH 3 Cl Ki = 70.0 nM 504.05 CCc1ccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1 Homo sapiens CHEMBL4836940 assay format
CHEMBL4872248 OBDepict H 3 C O S O O CH 3 N H 3 C O HO O H 3 C CH 3 Cl Ki = 70.0 nM 506.02 COc1ccc(S(=O)(=O)c2c(C)c(C(=O)O)n(CCCOc3cc(C)c(Cl)c(C)c3)c2C)cc1 Homo sapiens CHEMBL4836940 assay format
CHEMBL4870458 OBDepict OH O N CH 3 Ki = 70.0 nM 467.57 Cc1ccccc1-c1cn(Cc2cccc3ccccc23)c2cccc(-c3ccccc3C(=O)O)c12 Homo sapiens CHEMBL4813624 single protein format
CHEMBL3426329 OBDepict OH O N S O CH 3 H 3 C Cl Ki = 71.0 nM 415.94 Cc1cc(OCCCc2c(C(=O)O)n3c4c(cccc24)SCC3)cc(C)c1Cl Homo sapiens CHEMBL3429294 single protein format
CHEMBL4101319 OBDepict OH O HN O N H O H 3 C N H 3 C N CH 3 H 3 C H 3 C Cl Ki = 72.0 nM 599.13 Cc1cc(OCCCc2c(C(=O)NCc3cccc(C(=O)O)c3)[nH]c3c(-c4c(C)nn(C)c4C)cccc23)cc(C)c1Cl Homo sapiens CHEMBL4023195 assay format
CHEMBL4522193 OBDepict HO O NH S S N O O N CH 3 CH 3 CH 3 Ki = 73.0 nM 553.75 CC(C)(C)c1ccc(N2CCN(S(=O)(=O)Nc3ccc(SCCc4ccccc4)cc3C(=O)O)CC2)cc1 Homo sapiens CHEMBL4344313 assay format
CHEMBL4099902 OBDepict OH O N H O N CH 3 N N H 3 C CH 3 CH 3 Cl Ki = 73.0 nM 549.12 Cc1cc(OCCCc2c(C(=O)O)[nH]c3c(-c4c(CN5CCCCC5)nn(C)c4C)cccc23)cc(C)c1Cl Homo sapiens CHEMBL4034732 single protein format
CHEMBL3426323 OBDepict HO O N + S O _ O Ki = 74.0 nM 433.53 O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCC[S+]3[O-] Homo sapiens CHEMBL3429294 single protein format
CHEMBL4533559 OBDepict CH 3 O S HN O HO S N O O N H 3 C CH 3 H 3 C Ki = 74.0 nM 583.78 COc1cccc(CCSc2ccc(NS(=O)(=O)N3CCN(c4ccc(C(C)(C)C)cc4)CC3)c(C(=O)O)c2)c1 Homo sapiens CHEMBL4344313 assay format
CHEMBL2312475 OBDepict CH 3 HN O N O CH 3 H 3 C IC50 = 75.0 nM 438.57 CCCCCCNC1=C2C(=NC1=O)c1cccc3c(Oc4ccc(C(C)C)cc4)ccc2c13 Homo sapiens CHEMBL2318342 single protein format
CHEMBL2314210 OBDepict Cl N H O OH O Ki = 75.0 nM 379.84 O=C(O)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 Homo sapiens CHEMBL2320307 assay format
CHEMBL4573959 OBDepict CH 3 S N CH 3 N O Cl O H O HO N CH 3 H 3 C Ki = 76.0 nM 550.08 CCc1sc2ncnc(O[C@H](Cc3ccccc3)C(=O)O)c2c1-c1cc2cc(CN(C)C)oc2c(Cl)c1C Homo sapiens CHEMBL4375084 cell-based format
CHEMBL2312472 OBDepict CH 3 HN O N S O H 3 C IC50 = 78.0 nM 442.58 CCCCCCNC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(OC)cc4)ccc2c13 Homo sapiens CHEMBL2318342 single protein format
CHEMBL2312481 OBDepict CH 3 HN O N N S IC50 = 79.0 nM 377.51 CCCCNC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13 Homo sapiens CHEMBL2318342 single protein format
CHEMBL3781669 OBDepict Cl Cl O HN S O O O OH HO Ki = 79.0 nM 504.35 O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)c2ccccc2c1O Homo sapiens CHEMBL3783777 assay format
CHEMBL3126309 OBDepict O N CH 3 H 3 C S HN O O O OH CH 3 IC50 = 80.0 nM 488.57 Cc1ccc(-c2ccc(C(=O)O)c(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2)c2ccccc12 Homo sapiens CHEMBL3131368 assay format
CHEMBL3780803 OBDepict H 3 C H 3 C N S O O O HO OH O H 3 C H 3 C Cl Ki = 80.0 nM 554.06 Cc1cc(Oc2ccc(N(CC(C)C)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl Homo sapiens CHEMBL3783777 assay format
CHEMBL4866213 OBDepict OH O N H 3 C CH 3 S O O S O CH 3 H 3 C Cl Ki = 80.0 nM 482.02 Cc1cc(OCCCn2c(C)c(S(=O)(=O)c3cccs3)c(C)c2C(=O)O)cc(C)c1Cl Homo sapiens CHEMBL4836940 assay format
CHEMBL3799491 OBDepict CH 3 O N NH N O O OH O O H 3 C CH 3 Ki = 81.0 nM 577.64 CCOc1ccc(-c2c(NC(=O)c3ccc(OC(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1 Homo sapiens CHEMBL3801197 assay format
CHEMBL1672078 OBDepict N O N S H 3 C CH 3 Ki = 82.0 nM 380.47 CC(C)c1ccc(Sc2ccc3c4c(cccc24)C2=NC(=O)C(C#N)=C23)cc1 Homo sapiens CHEMBL1677785 single protein format
CHEMBL3780225 OBDepict HO O OH S NH O O O Ki = 82.0 nM 485.52 O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3cccc4ccccc34)cc2)c2ccccc2c1O Homo sapiens CHEMBL3783777 assay format
CHEMBL4574884 OBDepict OH O N O Cl IC50 = 83.0 nM 425.96 O=C(O)Cc1ccc2c(c1)N(CC1CCC1)C[C@@]1(CCCc3cc(Cl)ccc31)CO2 Homo sapiens CHEMBL4356586 single protein format