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P10415 | BCL2_HUMAN | Apoptosis regulator Bcl-2 (BCL2)

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
CHEMBL3701350 OBDepict OH N O N N CH 3 N CH 3 H 3 C F N O HO H H 3 C IC50 = 2.1 nM 593.66 Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc(F)c(O)cc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C Homo sapiens CHEMBL3705658 single protein format
CHEMBL3701304 OBDepict H 3 C O N N O H 3 C CH 3 H H 3 C N O N OH IC50 = 4.9 nM 586.69 COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)c(-c2cc(C(=O)N(c3ccncc3)c3ccc(O)cc3)c(C)n2C)c1 Homo sapiens CHEMBL3705658 single protein format
CHEMBL3701291 OBDepict Cl N N O H 3 C CH 3 H H 3 C N O N N CH 3 OH IC50 = 5.0 nM 594.12 Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C Homo sapiens CHEMBL3705658 single protein format
CHEMBL3701327 OBDepict OH N O CH 3 N H 3 C O N O O H H 3 C IC50 = 5.1 nM 599.69 Cc1c(C(=O)N(c2ccccc2)c2ccc(O)cc2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2C)OCO3)n1C Homo sapiens CHEMBL3705658 single protein format
CHEMBL3701315 OBDepict H 3 C O N N O H 3 C CH 3 H H 3 C N O N N CH 3 OH IC50 = 7.2 nM 589.7 COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)c(-c2cc(C(=O)N(c3ccc(O)cc3)c3cnn(C)c3)c(C)n2C)c1 Homo sapiens CHEMBL3705658 single protein format
CHEMBL3701312 OBDepict OH N O CH 3 N N H 3 C Cl N O H H 3 C IC50 = 7.5 nM 591.11 Cc1c(C(=O)N(c2ccncc2)c2ccc(O)cc2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C Homo sapiens CHEMBL3705658 single protein format
CHEMBL473446 OBDepict CH 3 N O N N H 3 C CH 3 N O O O OH IC50 = 10.0 nM 546.67 CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(OCC(=O)O)cc2C(=O)N2CCc3ccccc3C2)n1 Homo sapiens CHEMBL1019892 single protein format
CHEMBL3704807 OBDepict HO N O H 3 C N CH 3 Cl N O IC50 = 19.2 nM 576.1 Cc1c(C(=O)N(c2ccccc2)c2ccc(O)cc2)cc(-c2cc(Cl)ccc2C(=O)N2CCc3ccccc3C2)n1C Homo sapiens CHEMBL3705658 single protein format
CHEMBL2312470 OBDepict NH 2 S N N H O IC50 = 20.0 nM 461.59 Nc1ccc(Sc2ccc3c4c(cccc24)C2=NC(=O)C(NCCCc4ccccc4)=C23)cc1 Homo sapiens CHEMBL2318341 single protein format
CHEMBL481581 OBDepict H 3 C N O N N Cl CH 3 CH 3 N O H NH 2 IC50 = 20.0 nM 536.12 CCCCN(CCCC)C(=O)c1nn(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CN)c(C)c1Cl Homo sapiens CHEMBL1019892 single protein format
CHEMBL3701383 OBDepict N N N H NH 2 N CH 3 Cl N N F IC50 = 20.6 nM 419.85 CC(Nc1ncnc(N)c1C#N)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1 Homo sapiens CHEMBL3705658 single protein format
CHEMBL2180320 OBDepict O S O OH OH CH 3 H 3 C Ki = 24.0 nM 390.46 CC(C)c1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1 Homo sapiens CHEMBL2188685 single protein format
CHEMBL3799491 OBDepict CH 3 O N NH N O O OH O O H 3 C CH 3 Ki = 28.0 nM 577.64 CCOc1ccc(-c2c(NC(=O)c3ccc(OC(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1 Homo sapiens CHEMBL3801198 assay format
CHEMBL3701336 OBDepict H 3 C HN HN O N N O CH 3 CH 3 H H 3 C N O CH 3 OH IC50 = 28.9 nM 593.73 CCNC(=O)NCc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)c(-c2cc(C(=O)N(C)c3ccc(O)cc3)c(C)n2C)c1 Homo sapiens CHEMBL3705658 single protein format
CHEMBL503454 OBDepict NH 2 H N O N N CH 3 Cl N O IC50 = 30.0 nM 576.1 Cc1c(Cl)c(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN Homo sapiens CHEMBL1019892 single protein format
CHEMBL454411 OBDepict CH 3 N O N N Cl H 3 C H 3 C CH 3 N O H H 2 N IC50 = 42.0 nM 550.15 CCCCN(CCCC)C(=O)c1nn(-c2cccc(C)c2C(=O)N2Cc3ccccc3C[C@H]2CN)c(C)c1Cl Homo sapiens CHEMBL1014486 single protein format
CHEMBL2312476 OBDepict O N NH O H 3 C CH 3 IC50 = 42.0 nM 472.59 CC(C)c1ccc(Oc2ccc3c4c(cccc24)C2=NC(=O)C(NCCCc4ccccc4)=C23)cc1 Homo sapiens CHEMBL2318341 single protein format
CHEMBL2180318 OBDepict CH 3 S O O HO HO Ki = 44.0 nM 362.41 Cc1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1 Homo sapiens CHEMBL2188685 single protein format
CHEMBL2312483 OBDepict O N N H N S IC50 = 49.0 nM 439.58 O=C1N=C2C(=C1NCCCc1ccccc1)c1ccc(N3CCSCC3)c3cccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL460173 OBDepict OH H N O N N CH 3 Cl N O IC50 = 50.0 nM 577.08 Cc1c(Cl)c(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO Homo sapiens CHEMBL1019892 single protein format
CHEMBL2312473 OBDepict OH O S N N H O IC50 = 57.0 nM 478.57 O=C1N=C2C(=C1NCCCc1ccccc1)c1ccc(Sc3ccc(OO)cc3)c3cccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL387141 OBDepict _ O + N O HN S N H O O O N CH 3 CH 3 CH 3 H 3 C S Ki = 67.0 nM 596.78 CC1(C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(C)(C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1 Homo sapiens CHEMBL909602 single protein format
CHEMBL4218253 OBDepict Cl N CH 3 H 3 C N HN O S O O N N H 3 C IC50 = 67.4 nM 582.17 Cn1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)n1 Homo sapiens CHEMBL4182824 single protein format
CHEMBL2180319 OBDepict O S O OH OH Ki = 71.0 nM 348.38 O=C1c2ccc(Sc3ccccc3)cc2C(=O)c2cc(O)c(O)cc21 Homo sapiens CHEMBL2188685 single protein format
CHEMBL3701320 OBDepict CH 3 HN NH O N O N CH 3 H H 3 C CH 3 N O CH 3 OH IC50 = 71.4 nM 593.73 CCNC(=O)NCc1ccc(-c2cc(C(=O)N(C)c3ccc(O)cc3)c(C)n2C)c(C(=O)N2Cc3ccccc3C[C@H]2C)c1 Homo sapiens CHEMBL3705658 single protein format
CHEMBL2312469 OBDepict CH 3 HN O N S NH 2 IC50 = 80.0 nM 427.57 CCCCCCNC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(N)cc4)ccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL2180317 OBDepict Br S O O OH OH Ki = 87.0 nM 427.27 O=C1c2ccc(Sc3ccc(Br)cc3)cc2C(=O)c2cc(O)c(O)cc21 Homo sapiens CHEMBL2188685 single protein format
CHEMBL481775 OBDepict CH 3 N O N N Cl H 3 C H 3 C N O NH 2 IC50 = 90.0 nM 522.09 CCCCN(CCCC)C(=O)c1nn(-c2ccc(N)cc2C(=O)N2CCc3ccccc3C2)c(C)c1Cl Homo sapiens CHEMBL1019892 single protein format
CHEMBL371861 OBDepict F HN O S O O + N N H O _ O S IC50 = 93.0 nM 551.62 O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1 Homo sapiens CHEMBL2208697 single protein format
CHEMBL2312482 OBDepict CH 3 HN O N N S IC50 = 96.0 nM 405.57 CCCCCCNC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL467229 OBDepict H 3 C N O N N Cl CH 3 CH 3 N O H OH IC50 = 100.0 nM 537.1 CCCCN(CCCC)C(=O)c1nn(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CO)c(C)c1Cl Homo sapiens CHEMBL1019892 single protein format
CHEMBL3927241 OBDepict H 3 C N O N N H 3 C CH 3 O N O H O OH OH IC50 = 102.02 nM 576.69 CCCCN(CCCC)C(=O)c1cc(C)n(-c2cc(OCC(=O)O)ccc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1 Homo sapiens CHEMBL3887237 single protein format
CHEMBL453380 OBDepict NH 2 H N O N N CH 3 N O IC50 = 110.0 nM 541.66 Cc1cc(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN Homo sapiens CHEMBL1019892 single protein format
CHEMBL514298 OBDepict O N N N CH 3 N O H H 3 C IC50 = 110.0 nM 526.64 Cc1cc(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1C Homo sapiens CHEMBL1019892 single protein format
CHEMBL2180321 OBDepict Br O O HO HO Ki = 132.0 nM 319.11 O=C1c2ccc(Br)cc2C(=O)c2cc(O)c(O)cc21 Homo sapiens CHEMBL2188685 single protein format
CHEMBL500866 OBDepict CH 3 N H H N O N N H 3 C N O IC50 = 140.0 nM 555.68 CNC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(C(=O)N(c2ccccc2)c2ccccc2)cc1C Homo sapiens CHEMBL1019892 single protein format
CHEMBL4082302 OBDepict HO O O N O H 3 C H 3 C Cl Ki = 140.0 nM 463.96 Cc1cc(OCCCn2ccc3c(OCc4cccc(C(=O)O)c4)cccc32)cc(C)c1Cl Homo sapiens CHEMBL4015012 single protein format
CHEMBL3799447 OBDepict H 3 C O H 3 C N HN N O O OH O O CH 3 CH 3 Ki = 140.0 nM 591.66 CC(C)Oc1ccc(C(=O)Nc2c(C(=O)O)nn(-c3ccc(Oc4ccccc4)cc3)c2-c2ccc(OC(C)C)cc2)cc1 Homo sapiens CHEMBL3801198 assay format
CHEMBL500574 OBDepict CH 3 N CH 3 H N O N N CH 3 N O IC50 = 150.0 nM 569.71 Cc1cc(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CN(C)C Homo sapiens CHEMBL1019892 single protein format
CHEMBL4098261 OBDepict O N N O O O OH H 3 C H 3 C CH 3 Ki = 150.0 nM 568.71 CC(C)(C)c1ccc(OCCCn2c(C(=O)N3CCCCC3)cc3ccc(OCc4ccccc4C(=O)O)cc32)cc1 Homo sapiens CHEMBL4015012 single protein format
CHEMBL1824190 OBDepict CH 3 CH 3 O N N O Ki = 158.0 nM 378.43 CCC(C)c1ccc(Oc2ccc3c4c(cccc24)C2=NC(=O)C(C#N)=C23)cc1 Homo sapiens CHEMBL1827900 single protein format
CHEMBL501871 OBDepict CH 3 O H N O N N H 3 C N O IC50 = 160.0 nM 556.67 COC[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(C(=O)N(c2ccccc2)c2ccccc2)cc1C Homo sapiens CHEMBL1019892 single protein format
CHEMBL1272224 OBDepict CH 3 H 3 C HO O HO CH 3 O CH 3 O O OH OH CH 3 CH 3 Ki = 170.0 nM 518.56 CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CC(C)C)C2=O)C(=O)c2cc(O)c(O)c(CC(C)C)c2C1=O Homo sapiens CHEMBL1273517 single protein format
CHEMBL4081347 OBDepict OH O O N O CH 3 H 3 C CH 3 Ki = 170.0 nM 457.57 CC(C)(C)c1ccc(OCCCn2ccc3cc(OCc4ccccc4C(=O)O)ccc32)cc1 Homo sapiens CHEMBL4015012 single protein format
CHEMBL258819 OBDepict O OH OH O HO O N S IC50 = 170.0 nM 483.5 O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2nc3ccccc3s2)c(O)c(O)c1O Homo sapiens CHEMBL932183 single protein format
CHEMBL454406 OBDepict H 3 C N O N N H 3 C CH 3 H 3 C N O H H 2 N IC50 = 175.0 nM 515.7 CCCCN(CCCC)C(=O)c1cc(C)n(-c2cccc(C)c2C(=O)N2Cc3ccccc3C[C@H]2CN)n1 Homo sapiens CHEMBL1014486 single protein format
CHEMBL2436891 OBDepict CH 3 OH N N O OH OH OH Ki = 179.0 nM 390.4 Cc1ccc(O)c(Cn2c(-c3ccccc3)nc3c(O)c(O)c(O)cc3c2=O)c1 Homo sapiens CHEMBL2437893 assay format
CHEMBL4077940 OBDepict CH 3 O H 3 C N N H N H O O O O H 2 N CH 3 CH 3 CH 3 H 3 C O OH Ki = 179.0 nM 550.61 CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)O)cc3OC(C)C)nc2OC(C)C)ccc1N Homo sapiens CHEMBL4398474 single protein format
CHEMBL2312475 OBDepict CH 3 HN O N O CH 3 H 3 C IC50 = 184.0 nM 438.57 CCCCCCNC1=C2C(=NC1=O)c1cccc3c(Oc4ccc(C(C)C)cc4)ccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL1269107 OBDepict CH 3 O O CH 3 O O OH OH HO HO Ki = 190.0 nM 586.6 CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O Homo sapiens CHEMBL1273517 single protein format
CHEMBL2312484 OBDepict CH 3 HN O N S NH 2 IC50 = 190.0 nM 399.52 CCCCNC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(N)cc4)ccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL444140 OBDepict OH H N O N N CH 3 N O IC50 = 190.0 nM 542.64 Cc1cc(C(=O)N(c2ccccc2)c2ccccc2)nn1-c1ccccc1C(=O)N1Cc2ccccc2C[C@H]1CO Homo sapiens CHEMBL1019892 single protein format
CHEMBL383229 OBDepict _ O + N O HN S N H O O O N CH 3 CH 3 S Ki = 192.0 nM 568.72 CC1(C)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NCCSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1 Homo sapiens CHEMBL859052 single protein format
CHEMBL2312481 OBDepict CH 3 HN O N N S IC50 = 198.0 nM 377.51 CCCCNC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL2312472 OBDepict CH 3 HN O N S O H 3 C IC50 = 206.0 nM 442.58 CCCCCCNC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(OC)cc4)ccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL3798644 OBDepict CH 3 N N OH HO CH 3 O HO H 3 C H 3 C CH 3 Ki = 207.0 nM 506.6 Cc1ccc(/N=c2c3ccc(C)cc3n(C(=O)c3ccc(C(C)(C)C)cc3)c3c(O)c(O)c(O)cc23)cc1 Homo sapiens CHEMBL3801198 assay format
CHEMBL4741554 OBDepict CH 3 N H N O S Br Ki = 210.0 nM 463.4 CCCCNC1=C(C#N)C(=O)c2cccc3c(Sc4ccc(Br)cc4)ccc1c23 Homo sapiens CHEMBL4705649 assay format
CHEMBL508211 OBDepict OH H N O CH 3 N N H 3 C N O IC50 = 210.0 nM 556.67 Cc1cccc(-n2nc(C(=O)N(c3ccccc3)c3ccccc3)cc2C)c1C(=O)N1Cc2ccccc2C[C@H]1CO Homo sapiens CHEMBL1014486 single protein format
CHEMBL483083 OBDepict HO OH O H H O O HO OH OH OH OH Ki = 230.0 nM 442.38 O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3056015 single protein format
CHEMBL4062127 OBDepict HO O O N O H 3 C H 3 C Cl Ki = 230.0 nM 463.96 Cc1cc(OCCCn2ccc3c(OCc4ccccc4C(=O)O)cccc32)cc(C)c1Cl Homo sapiens CHEMBL4015012 single protein format
CHEMBL513318 OBDepict CH 3 N O N N H 3 C CH 3 N O IC50 = 230.0 nM 472.63 CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccccc2C(=O)N2CCc3ccccc3C2)n1 Homo sapiens CHEMBL1019892 single protein format
CHEMBL3913077 OBDepict Cl N N N H O S O O S Ki = 234.12 nM 552.12 O=C(NS(=O)(=O)c1cccs1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 Homo sapiens CHEMBL3889232 single protein format
CHEMBL264938 OBDepict HO OH O H H O O OH HO OH OH OH OH Ki = 235.0 nM 458.38 O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3056015 single protein format
CHEMBL1272170 OBDepict CH 3 O O H 3 C O O CH 3 H 3 C HO OH OH CH 3 H 3 C OH Ki = 250.0 nM 490.51 CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(C)C)C2=O)C(=O)c2cc(O)c(O)c(C(C)C)c2C1=O Homo sapiens CHEMBL1273517 single protein format
CHEMBL1272224 OBDepict CH 3 H 3 C HO O HO CH 3 O CH 3 O O OH OH CH 3 CH 3 IC50 = 250.0 nM 518.56 CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CC(C)C)C2=O)C(=O)c2cc(O)c(O)c(CC(C)C)c2C1=O Homo sapiens CHEMBL1273517 single protein format
CHEMBL1672071 OBDepict N O N O H 3 C CH 3 Ki = 252.0 nM 364.4 CC(C)c1ccc(Oc2ccc3c4c(cccc24)C2=NC(=O)C(C#N)=C23)cc1 Homo sapiens CHEMBL1827900 single protein format
CHEMBL4071224 OBDepict O N N O O CH 3 H 3 C Cl O OH Ki = 270.0 nM 575.1 Cc1cc(OCCCn2c(C(=O)N3CCCCC3)cc3ccc(OCc4ccccc4C(=O)O)cc32)cc(C)c1Cl Homo sapiens CHEMBL4015012 single protein format
CHEMBL1672069 OBDepict N O N O Ki = 278.0 nM 398.42 N#CC1=C2C(=NC1=O)c1cccc3c(Oc4ccc(-c5ccccc5)cc4)ccc2c13 Homo sapiens CHEMBL1827900 single protein format
CHEMBL3914781 OBDepict H 3 C N O N N H 3 C CH 3 OH N O H HO IC50 = 278.4 nM 518.66 CCCCN(CCCC)C(=O)c1cc(C)n(-c2cc(O)ccc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1 Homo sapiens CHEMBL3887237 single protein format
CHEMBL453466 OBDepict H 3 C O O H N O N N CH 3 N O IC50 = 280.0 nM 584.68 COC(=O)C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1-n1nc(C(=O)N(c2ccccc2)c2ccccc2)cc1C Homo sapiens CHEMBL1019892 single protein format
CHEMBL3919771 OBDepict Cl N N NH O S O O S H 3 C N CH 3 Ki = 282.11 nM 581.16 Cc1nc(C)c(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)cc2)s1 Homo sapiens CHEMBL3889232 single protein format
CHEMBL595134 OBDepict N O N N S IC50 = 285.0 nM 331.4 N#CC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13 Homo sapiens CHEMBL1677787 single protein format
CHEMBL2260476 OBDepict OH O OH H H HO HO HO O HO Ki = 286.0 nM 384.34 O=c1c(O)cccc2c([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)cc(O)c(O)c12 Homo sapiens CHEMBL3056015 single protein format
CHEMBL217354 OBDepict O N H HO OH OH S O O H 3 C H 3 C CH 3 CH 3 CH 3 Ki = 290.0 nM 573.71 CC(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O Homo sapiens CHEMBL909444 single protein format
CHEMBL259034 OBDepict O OH HO HO O O IC50 = 290.0 nM 476.48 O=C(c1ccc(Oc2ccccc2)cc1)c1cc(C(=O)c2cccc3ccccc23)c(O)c(O)c1O Homo sapiens CHEMBL932183 single protein format
CHEMBL1269107 OBDepict CH 3 O O CH 3 O O OH OH HO HO IC50 = 290.0 nM 586.6 CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccccc3)c2C1=O Homo sapiens CHEMBL1273517 single protein format
CHEMBL4644062 OBDepict CH 3 O N H 3 C O H H H 3 C CH 3 Ki = 300.0 nM 327.47 CON(C)C(=O)[C@H]1CC=C(CCC=C(C)C)C[C@@H]1c1ccccc1 Homo sapiens CHEMBL4617559 single protein format
CHEMBL1672082 OBDepict N O N S NH 2 IC50 = 302.0 nM 353.41 N#CC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(N)cc4)ccc2c13 Homo sapiens CHEMBL1677787 single protein format
CHEMBL1672070 OBDepict N O N O O CH 3 Ki = 304.0 nM 352.35 COc1ccc(Oc2ccc3c4c(cccc24)C2=NC(=O)C(C#N)=C23)cc1 Homo sapiens CHEMBL1827900 single protein format
CHEMBL4519497 OBDepict N O N N S Ki = 310.0 nM 333.42 N#CC1=C2C3=CC=C(N4CCSCC4)C4=CC=CC(C2=NC1=O)C43 Homo sapiens CHEMBL4398456 single protein format
CHEMBL595134 OBDepict N O N N S Ki = 310.0 nM 331.4 N#CC1=C2C(=NC1=O)c1cccc3c(N4CCSCC4)ccc2c13 Homo sapiens CHEMBL1677798 single protein format
CHEMBL51483 OBDepict O OH OH OH CH 3 H 3 C H 3 C CH 3 OH O HO H 3 C CH 3 HO Ki = 320.0 nM 518.56 Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O Homo sapiens CHEMBL909444 single protein format
CHEMBL4165406 OBDepict O OH HO HO H 3 C OH H 3 C CH 3 O OH CH 3 H 3 C OH Ki = 320.0 nM 504.54 Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1cc2cc(C(C)C)c(O)c(O)c2c(C=O)c1O Homo sapiens CHEMBL4147762 single protein format
CHEMBL2312474 OBDepict CH 3 HN O N O CH 3 H 3 C IC50 = 322.0 nM 410.52 CCCCNC1=C2C(=NC1=O)c1cccc3c(Oc4ccc(C(C)C)cc4)ccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL297453 OBDepict HO OH O H H O O OH HO OH OH OH OH Ki = 335.0 nM 458.38 O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3056015 single protein format
CHEMBL3973043 OBDepict Cl N N NH O S O O H 3 C N Cl N CH 3 Ki = 339.99 nM 598.56 Cc1nn(C)c(Cl)c1S(=O)(=O)NC(=O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 Homo sapiens CHEMBL3889232 single protein format
CHEMBL389660 OBDepict CH 3 H 3 C OH O OH OH H 3 C O Ki = 340.0 nM 340.38 Cc1oc2c(CC(C)C)c(O)c(O)c(O)c2c(=O)c1-c1ccccc1 Homo sapiens CHEMBL888453 single protein format
CHEMBL1672080 OBDepict H 3 C H 3 C CH 3 S N N O IC50 = 342.0 nM 408.53 CCC(C)(C)c1ccc(Sc2ccc3c4c(cccc24)C2=NC(=O)C(C#N)=C23)cc1 Homo sapiens CHEMBL1677787 single protein format
CHEMBL2312471 OBDepict CH 3 HN O N S O H 3 C IC50 = 356.0 nM 414.53 CCCCNC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(OC)cc4)ccc2c13 Homo sapiens CHEMBL2318341 single protein format
CHEMBL1272170 OBDepict CH 3 O O H 3 C O O CH 3 H 3 C HO OH OH CH 3 H 3 C OH IC50 = 370.0 nM 490.51 CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(C)C)C2=O)C(=O)c2cc(O)c(O)c(C(C)C)c2C1=O Homo sapiens CHEMBL1273517 single protein format
CHEMBL3937363 OBDepict CH 3 N O N N CH 3 H 3 C N O NH S H O O H 3 C HO IC50 = 377.2 nM 595.77 CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NS(C)(=O)=O)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1 Homo sapiens CHEMBL3887238 single protein format
CHEMBL518649 OBDepict H 3 C N O N N Cl CH 3 CH 3 N O H 2 N H NH 2 IC50 = 380.0 nM 551.14 CCCCN(CCCC)C(=O)c1nn(-c2ccc(N)cc2C(=O)N2Cc3ccccc3C[C@H]2CN)c(C)c1Cl Homo sapiens CHEMBL1019894 single protein format
CHEMBL1672081 OBDepict N O N S Br Ki = 382.0 nM 417.29 N#CC1=C2C(=NC1=O)c1cccc3c(Sc4ccc(Br)cc4)ccc2c13 Homo sapiens CHEMBL1677795 single protein format
CHEMBL3799930 OBDepict OH O N N O H 3 C CH 3 Ki = 385.0 nM 412.49 CC(C)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(OCc3ccccc3)cc2)cc1 Homo sapiens CHEMBL3801198 assay format
CHEMBL503783 OBDepict OH H N O CH 3 N N H 3 C N O IC50 = 390.0 nM 556.67 Cc1cccc(-n2nc(C(=O)N(c3ccccc3)c3ccccc3)cc2C)c1C(=O)N1Cc2ccccc2C[C@@H]1CO Homo sapiens CHEMBL1014486 single protein format
CHEMBL36327 OBDepict HO OH O H H O O HO OH OH OH OH Ki = 400.0 nM 442.38 O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL3056015 single protein format
CHEMBL3800181 OBDepict CH 3 O N N H N O O OH O CH 3 H 3 C CH 3 Ki = 406.0 nM 575.67 CCOc1ccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)c(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1 Homo sapiens CHEMBL3801198 assay format
CHEMBL3947557 OBDepict Cl N N N H O S N O O O Ki = 408.57 nM 555.1 O=C(NS(=O)(=O)N1CCOCC1)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 Homo sapiens CHEMBL3889232 single protein format
CHEMBL4097869 OBDepict OH O O N O H 3 C H 3 C Cl Ki = 410.0 nM 463.96 Cc1cc(OCCCn2ccc3cc(OCc4cccc(C(=O)O)c4)ccc32)cc(C)c1Cl Homo sapiens CHEMBL4015012 single protein format
CHEMBL3401796 OBDepict CH 3 CH 3 H N H N H O S S O S O O Ki = 410.0 nM 550.73 CC[C@H](C)[C@@H](C(=O)NS(=O)(=O)c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S Homo sapiens CHEMBL3405857 single protein format