HOME LIGAND hPROTEOME OTHERS DOCUMENT

P14902 | I23O1_HUMAN | "Indoleamine 2,3-dioxygenase 1" (IDO1)

3D structures mapped by conservation among orthologs

[ Domain: "Indolic compounds 2,3-dioxygenase-like" // DUF1864_C ]

download pymol session

[ Domain: "Indoleamine 2,3-dioxygenase N-terminal subdomain" // IDO ]

download pymol session

[ Domain: pdbs with more than 2 multi-domains ]

download pymol session



[ 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
CHEMBL432537 OBDepict _ O + N O N O N O IC50 = 0.018 nM 293.24 O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1ccccc1c2=O Homo sapiens CHEMBL3089095 cell-based format
CHEMBL3745883 OBDepict CH 3 H 3 C N HN N H O H H O O OH N CH 3 IC50 = 0.5 nM 454.57 Cc1cc(NC(=O)Nc2cc([C@H]3C[C@H]3C(=O)O)ccc2N(CC(C)C)C2CCCCC2)on1 Homo sapiens CHEMBL3748076 cell-based format
CHEMBL4851857 OBDepict OH O N O N N H H N O N CH 3 CH 3 IC50 < 0.51 nM 521.66 Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(OCCO)CC4)c4c3C[C@H]3C[C@@H]43)CC2)c1C Homo sapiens CHEMBL4834032 tissue-based format
CHEMBL4862164 OBDepict HO N O N N H H N O N H 3 C H 3 C IC50 < 0.51 nM 503.65 Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC5(CO)CC4C5)c4c3C[C@H]3C[C@@H]43)CC2)c1C Homo sapiens CHEMBL4834032 tissue-based format
CHEMBL4851825 OBDepict O N O N N H H N O N H 3 C H 3 C IC50 < 0.51 nM 475.59 Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(=O)CC4)c4c3C[C@H]3C[C@@H]43)CC2)c1C Homo sapiens CHEMBL4834032 tissue-based format
CHEMBL4873747 OBDepict Cl N H F F F H H H H N N F F IC50 = 0.52 nM 455.86 Fc1cc2ncn([C@H]3C[C@@H]4[C@@H](CNC(c5ccc(Cl)cc5)C(F)(F)F)[C@@H]4C3)c2cc1F Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4879235 OBDepict O N N N N N O H H CH 3 CH 3 H F H OH IC50 = 0.59 nM 495.6 Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CC[C@@H](O)[C@H](F)C4)c4c3C[C@H]3C[C@@H]43)CC2)c1C Homo sapiens CHEMBL4834032 tissue-based format
CHEMBL4861457 OBDepict CH 3 N H O N O N N N O N Cl CH 3 IC50 = 0.59 nM 581.16 CC(=O)NC1CCN(C(=O)c2nn(CC(=O)N3CCN(c4cccc(C)c4Cl)CC3)c3c2C2CCCCC2C3)CC1 Homo sapiens CHEMBL4834032 tissue-based format
CHEMBL4856710 OBDepict Cl NH O H 3 C H H H H N F IC50 = 0.6 nM 408.9 CC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H](c3ccnc4ccc(F)cc34)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4642946 OBDepict Cl N H O CH 3 H N H O Cl IC50 = 0.6 nM 403.31 C[C@H](C(=O)Nc1ccc(Cl)cc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2 Homo sapiens CHEMBL4622406 cell-based format
CHEMBL4867998 OBDepict OH N OH O N N H H N O N CH 3 CH 3 F IC50 = 0.64 nM 551.66 Cc1c(F)ccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(O)C(CO)C4)c4c3C[C@H]3C[C@@H]43)C3(CC3)C2)c1C Homo sapiens CHEMBL4834032 tissue-based format
CHEMBL4858888 OBDepict Cl HN O CH 3 H H H H N N F F IC50 = 0.69 nM 415.87 CC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H](n3cnc4cc(F)c(F)cc43)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4862659 OBDepict Cl N N H N N O O IC50 = 0.6928 nM 422.92 O=C(OC1CC1)N1CCCc2nc(C3(c4nc5ccc(Cl)cc5[nH]4)CCC3)ccc21 Homo sapiens CHEMBL4828620 tissue-based format
CHEMBL4764710 OBDepict H N H CH 3 N O N O O F IC50 = 0.8 nM 397.45 C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC1CCC1 Homo sapiens CHEMBL4689679 tissue-based format
CHEMBL4849690 OBDepict H 3 C H N N H H H H Cl N F IC50 = 0.92 nM 419.93 CCC(c1nc2cc(Cl)ccc2[nH]1)[C@@H]1[C@H]2C[C@H](c3ccnc4ccc(F)cc34)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4848644 OBDepict Cl N O N N N H N F F F IC50 = 0.9583 nM 511.94 O=C(c1ccccc1Cl)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21 Homo sapiens CHEMBL4828620 tissue-based format
CHEMBL4865877 OBDepict Cl N N H H 3 C H N N O O IC50 = 0.9819 nM 396.88 C[C@@H](c1ccc2c(n1)CCCN2C(=O)OC1CC1)c1nc2ccc(Cl)cc2[nH]1 Homo sapiens CHEMBL4828620 tissue-based format
CHEMBL4746602 OBDepict O N N N N N N O IC50 = 1.0 nM 370.37 O=C1c2nnn(Cc3ccccc3)c2C(=O)c2nnn(Cc3ccccc3)c21 Homo sapiens CHEMBL4734675 single protein format
CHEMBL4855797 OBDepict O N H CH 3 H N F O Cl IC50 = 1.0 nM 442.96 C[C@@H](C(=O)Nc1ccc(F)cc1)C1CCC2C(CCCN2C(=O)c2cccc(Cl)c2)C1 Homo sapiens CHEMBL4810784 cell-based format
CHEMBL4875089 OBDepict CH 3 N H H H H O H O Cl N F IC50 = 1.0 nM 438.93 CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@H]2C[C@@H](Oc3ccnc4ccc(F)cc34)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4862297 OBDepict F NH O N H H 3 C N N N CH 3 IC50 = 1.1 nM 417.49 Cc1nccc(N2CCCc3nc([C@]4(NC(=O)c5ccc(F)cc5)C[C@@H]4C)ccc32)n1 Homo sapiens CHEMBL4828412 cell-based format
CHEMBL4852107 OBDepict Cl N N H CH 3 N N O O IC50 = 1.147 nM 396.88 CC(c1ccc2c(n1)CCCN2C(=O)OC1CC1)c1nc2ccc(Cl)cc2[nH]1 Homo sapiens CHEMBL4828620 tissue-based format
CHEMBL4859249 OBDepict F NH O N N N N CH 3 IC50 = 1.2 nM 403.46 Cc1nccc(N2CCCc3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1 Homo sapiens CHEMBL4828412 cell-based format
CHEMBL4847724 OBDepict F NH O N N N N F F F IC50 = 1.2 nM 457.43 O=C(NC1(c2ccc3c(n2)CCCN3c2ccnc(C(F)(F)F)n2)CC1)c1ccc(F)cc1 Homo sapiens CHEMBL4828412 cell-based format
CHEMBL4853215 OBDepict O N O N N N H N F F F IC50 = 1.349 nM 457.46 O=C(OC1CC1)N1CCCc2nc(C3(c4nc5ncc(C(F)(F)F)cc5[nH]4)CCC3)ccc21 Homo sapiens CHEMBL4828620 tissue-based format
CHEMBL4850401 OBDepict Cl N N N H N N O O IC50 = 1.375 nM 423.9 O=C(OC1CC1)N1CCCc2nc(C3(c4nc5ncc(Cl)cc5[nH]4)CCC3)ccc21 Homo sapiens CHEMBL4828620 tissue-based format
CHEMBL4868112 OBDepict H 3 C N H H H H O H O Cl N F IC50 = 1.4 nM 438.93 CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@H]2C[C@@H](Oc3ccnc4cc(F)ccc34)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4872023 OBDepict F N H O N O O IC50 = 1.4 nM 394.45 O=C(OC1CC1)N1CCc2cc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4744727 OBDepict F N H O CH 3 H N N O Cl IC50 = 1.4 nM 437.9 C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL4689679 tissue-based format
CHEMBL4875994 OBDepict Cl N H O N N IC50 = 1.6 nM 403.91 O=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(c2)CCN3c2ccccn2)CCC1 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4755227 OBDepict Cl N H O CH 3 H N N O Cl IC50 = 1.6 nM 454.36 C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(n1)CCCN2C(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL4689679 tissue-based format
CHEMBL4872522 OBDepict CH 3 N H H H H O H O Cl N IC50 = 1.6 nM 420.94 CCC(NC(=O)c1ccc(Cl)cc1)[C@H]1[C@H]2C[C@H](Oc3ccnc4ccccc34)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4848630 OBDepict F N H O N N N H 3 C IC50 = 1.6 nM 422.55 Cc1nccc(N2CCCC3CC(C4(C(=O)Nc5ccc(F)cc5)CCC4)CCC32)n1 Homo sapiens CHEMBL4810784 cell-based format
CHEMBL4861332 OBDepict CH 3 N H H H H H O H N N Cl F F IC50 = 1.7 nM 429.9 CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H](n3cnc4cc(F)c(F)cc43)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4779920 OBDepict F N H O H 3 C H N N N N IC50 = 1.7 nM 377.42 C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ccncn1 Homo sapiens CHEMBL4689679 tissue-based format
CHEMBL4638223 OBDepict F N H O N H O Cl IC50 = 1.7 nM 422.89 O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cc1)c1cccc(Cl)c1 Homo sapiens CHEMBL4605759 cell-based format
CHEMBL4783395 OBDepict F N H O CH 3 H N N N N F F F IC50 = 1.8 nM 445.42 C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2c1ccnc(C(F)(F)F)n1 Homo sapiens CHEMBL4689679 tissue-based format
CHEMBL4167184 OBDepict N N S N H O CH 3 HN N O N N H N OH Br F IC50 = 1.8 nM 461.28 CS(=O)(=NC#N)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1 Homo sapiens CHEMBL4143469 cell-based format
CHEMBL4644751 OBDepict F N H O CH 3 H N H O F F IC50 = 1.9 nM 388.39 C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3ccc(F)c(F)c3)(C1)C2 Homo sapiens CHEMBL4622406 cell-based format
CHEMBL4863767 OBDepict F N H O N N N F F F IC50 = 1.9 nM 476.52 O=C(Nc1ccc(F)cc1)C1(C2CCC3C(CCCN3c3ccnc(C(F)(F)F)n3)C2)CCC1 Homo sapiens CHEMBL4810784 cell-based format
CHEMBL4848094 OBDepict CH 3 O N HN O H H CH 3 H N F F O H 3 C IC50 = 2.0 nM 433.5 CC[C@@H](NC(=O)c1ccc(OC)nc1)[C@H]1CC[C@@H](c2ccnc(OC)c2C(F)F)CC1 Homo sapiens CHEMBL4824876 tissue-based format
CHEMBL4851220 OBDepict CH 3 O HN H H O H Cl N F F O H 3 C IC50 = 2.0 nM 452.93 COC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc(OC)c2C(F)F)CC1 Homo sapiens CHEMBL4824876 tissue-based format
CHEMBL4868709 OBDepict CH 3 O N CH 3 H H N H H CH 3 O Cl IC50 = 2.0 nM 400.95 CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc(OC)c2C)CC1 Homo sapiens CHEMBL4824876 tissue-based format
CHEMBL4756822 OBDepict CH 3 H N N H N H Cl N F F F IC50 = 2.0 nM 472.94 CCC(c1nc2ncc(Cl)cc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(C(F)(F)F)cc32)CC1 Homo sapiens CHEMBL4725179 tissue-based format
CHEMBL4865753 OBDepict Cl N H O N N O O IC50 = 2.0 nM 411.89 O=C(OC1CC1)N1CCc2nc(C3(C(=O)Nc4ccc(Cl)cc4)CCC3)ccc21 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4870929 OBDepict F NH O N N H H N N CH 3 IC50 = 2.0 nM 415.47 Cc1nccc(N2C[C@@H]3C[C@@H]3c3nc(C4(NC(=O)c5ccc(F)cc5)CC4)ccc32)n1 Homo sapiens CHEMBL4828412 cell-based format
CHEMBL4750659 OBDepict CH 3 H N N H N H Cl N F IC50 = 2.0 nM 422.94 CCC(c1nc2ncc(Cl)cc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 Homo sapiens CHEMBL4725179 tissue-based format
CHEMBL4750211 OBDepict CH 3 H N N H H Cl N F IC50 = 2.0 nM 421.95 CCC(c1nc2ccc(Cl)cc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 Homo sapiens CHEMBL4725179 tissue-based format
CHEMBL4845988 OBDepict CH 3 O N F F H H N H H CH 3 O Cl IC50 = 2.0 nM 436.93 CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc(OC)c2C(F)F)CC1 Homo sapiens CHEMBL4824876 tissue-based format
CHEMBL4647172 OBDepict F N H O CH 3 H N H O F Cl IC50 = 2.1 nM 404.84 C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cc(F)cc(Cl)c3)(C1)C2 Homo sapiens CHEMBL4622406 cell-based format
CHEMBL4648765 OBDepict F N H O CH 3 H N H O Cl F IC50 = 2.1 nM 404.84 C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3ccc(F)c(Cl)c3)(C1)C2 Homo sapiens CHEMBL4622406 cell-based format
CHEMBL4645108 OBDepict F N H O O N H O Cl IC50 = 2.1 nM 424.86 O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1)c1cccc(Cl)c1 Homo sapiens CHEMBL4605759 cell-based format
CHEMBL4848098 OBDepict Cl N H O N N N IC50 = 2.3 nM 404.9 O=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(n2)CCN3c2ccccn2)CCC1 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4849622 OBDepict F N H O N O Cl IC50 = 2.4 nM 469.0 O=C(c1cccc(Cl)c1)N1CCCC2CC(C3(C(=O)Nc4ccc(F)cc4)CCC3)CCC21 Homo sapiens CHEMBL4810784 cell-based format
CHEMBL4517539 OBDepict CH 3 O N O O H NH O H 3 C N H N IC50 = 2.5 nM 462.55 CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(CC)ccc1O2 Homo sapiens CHEMBL4358451 single protein format
CHEMBL4749009 OBDepict H N H H 3 C N O N O O F IC50 = 2.6 nM 383.42 C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)OC1CC1 Homo sapiens CHEMBL4689679 tissue-based format
CHEMBL4866113 OBDepict H 3 C N H H H H O H N N Cl F IC50 = 2.6 nM 411.91 CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H](n3cnc4cc(F)ccc43)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4866976 OBDepict H 3 C N H H H H O H N N Cl F IC50 = 2.6 nM 411.91 CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H](n3cnc4ccc(F)cc43)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4635112 OBDepict F N H O N N H O Cl IC50 = 2.7 nM 423.88 O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cn1)c1cccc(Cl)c1 Homo sapiens CHEMBL4605759 cell-based format
CHEMBL4864878 OBDepict F N H O N N O O IC50 = 2.7 nM 395.43 O=C(OC1CC1)N1CCc2nc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4859064 OBDepict CH 3 N H H H H H O H N N Cl F IC50 = 2.8 nM 411.91 CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H](n3cnc4ccc(F)cc43)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4849318 OBDepict CH 3 O N O H H NH O F IC50 = 2.8 nM 380.42 COC(=O)N1c2ccc(C3(NC(=O)c4ccc(F)cc4)CC3)cc2[C@H]2CC[C@H]21 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4847481 OBDepict F NH O N H H N N CH 3 IC50 = 2.9 nM 400.46 Cc1nccc(N2c3ccc(C4(NC(=O)c5ccc(F)cc5)CC4)cc3[C@H]3C[C@H]32)n1 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4788473 OBDepict CH 3 O N O N N H H 3 C H O F IC50 = 3.0 nM 371.41 CCOC(=O)N1CCCc2nc([C@@H](C)NC(=O)c3ccc(F)cc3)ccc21 Homo sapiens CHEMBL4689679 tissue-based format
CHEMBL4860353 OBDepict CH 3 O N F H H N H H CH 3 O Cl IC50 = 3.0 nM 404.91 CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc(OC)c2F)CC1 Homo sapiens CHEMBL4824876 tissue-based format
CHEMBL4744926 OBDepict Cl N H O CH 3 H O N O Cl IC50 = 3.0 nM 455.34 C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCCN2C(=O)c1cccc(Cl)c1 Homo sapiens CHEMBL4689679 tissue-based format
CHEMBL4796040 OBDepict H 3 C O N H H N O N H N F O H 3 C IC50 = 3.0 nM 476.55 COCC(Nc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 Homo sapiens CHEMBL4725179 tissue-based format
CHEMBL4746203 OBDepict CH 3 N H H N O N H N F F O CH 3 IC50 = 3.0 nM 478.54 CCC(Nc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CC[C@@H](c2ccnc3c(F)cc(F)cc32)CC1 Homo sapiens CHEMBL4725179 tissue-based format
CHEMBL4763467 OBDepict CH 3 NH H N O N H N O F F F CH 3 IC50 = 3.0 nM 510.56 CCC(Nc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CC[C@@H](c2ccnc3ccc(C(F)(F)F)cc32)CC1 Homo sapiens CHEMBL4725179 tissue-based format
CHEMBL3746645 OBDepict H 3 C O H 3 C N H Br N H O F N N N H N IC50 = 3.0 nM 567.46 CCCC(CCC)Oc1c(Br)cc(-c2ccccc2-c2nnn[nH]2)cc1NC(=O)Nc1ccccc1F Homo sapiens CHEMBL3748076 cell-based format
CHEMBL4780978 OBDepict F N N H H 3 C H H H N F IC50 = 3.0 nM 391.46 C[C@@H](c1nc2cc(F)ccc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 Homo sapiens CHEMBL4725179 tissue-based format
CHEMBL4750132 OBDepict H 3 C O N O N N H H 3 C H H H N F IC50 = 3.0 nM 446.53 COc1ccc(-c2nnc(N[C@H](C)[C@H]3CC[C@@H](c4ccnc5ccc(F)cc54)CC3)o2)cc1 Homo sapiens CHEMBL4725179 tissue-based format
CHEMBL3746887 OBDepict CH 3 H 3 C N N H CH 3 H 3 C N H O F F F O HO F F IC50 = 3.0 nM 515.52 CC(C)CN(CC(C)C)c1ccc(C(CC(=O)O)C(F)(F)F)cc1NC(=O)Nc1ccc(F)cc1F Homo sapiens CHEMBL3748076 cell-based format
CHEMBL4166767 OBDepict OH N N H N O N H N Br F N H S O O NH 2 IC50 = 3.0 nM 478.3 NS(=O)(=O)NC1(CCNc2nonc2/C(=N/O)Nc2ccc(F)c(Br)c2)CC1 Homo sapiens CHEMBL4143451 cell-based format
CHEMBL4855740 OBDepict F N H O N N O Cl IC50 = 3.0 nM 449.91 O=C(c1cccc(Cl)c1)N1CCc2nc(C3(C(=O)Nc4ccc(F)cc4)CCC3)ccc21 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4632992 OBDepict O HN CH 3 H N H F O Cl IC50 = 3.1 nM 386.85 C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2 Homo sapiens CHEMBL4622406 cell-based format
CHEMBL4877196 OBDepict F N H O N N IC50 = 3.1 nM 387.46 O=C(Nc1ccc(F)cc1)C1(c2ccc3c(c2)CCN3c2ccccn2)CCC1 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4647108 OBDepict F N H O CH 3 H HN N N F IC50 = 3.2 nM 394.43 C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(Nc3ncnc4ccc(F)cc34)(C1)C2 Homo sapiens CHEMBL4622406 cell-based format
CHEMBL4632601 OBDepict F N H O O N N H O Cl IC50 = 3.2 nM 425.85 O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)nc1)c1cccc(Cl)c1 Homo sapiens CHEMBL4605759 cell-based format
CHEMBL4535597 OBDepict CH 3 H 3 C N N H N H O H 3 C O O OH CH 3 F IC50 = 3.3 nM 521.63 Cc1oc(C)c(-c2ccc(N(CC(C)C)C3CCCCC3)c(NC(=O)Nc3ccccc3F)c2)c1C(=O)O Homo sapiens CHEMBL4482018 cell-based format
CHEMBL4873156 OBDepict H 3 C N N O H 3 C CH 3 NH O Cl IC50 = 3.3 nM 439.99 CCN(C(=O)N1CCc2cc(C3(C(=O)Nc4ccc(Cl)cc4)CCC3)ccc21)C(C)C Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4863359 OBDepict CH 3 N H H H H H O H N N Cl Cl IC50 = 3.4 nM 428.36 CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H](n3cnc4ccc(Cl)cc43)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4161733 OBDepict Cl N H O H 3 C H H H N F IC50 = 3.4 nM 410.92 C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 Homo sapiens CHEMBL4143453 single protein format
CHEMBL4633874 OBDepict Cl N N H O NH O Cl IC50 = 3.6 nM 440.33 O=C(Nc1ccc(C2(C(=O)Nc3ccc(Cl)nc3)CCC2)cc1)c1cccc(Cl)c1 Homo sapiens CHEMBL4605759 cell-based format
CHEMBL4846356 OBDepict Cl NH O H H H H H N N F F IC50 = 3.6 nM 441.91 O=C(N[C@H](C1CC1)[C@@H]1[C@H]2C[C@H](n3cnc4cc(F)c(F)cc43)C[C@H]21)c1ccc(Cl)cc1 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4848366 OBDepict O N H N CH 3 N Cl O O IC50 = 3.7 nM 405.93 CC(C(=O)Nc1ccc(Cl)cc1)N1CCC2C(CCCN2C(=O)OC2CC2)C1 Homo sapiens CHEMBL4810784 cell-based format
CHEMBL4779248 OBDepict F NH O H 3 C H N N N N CH 3 IC50 = 3.8 nM 391.45 Cc1nccc(N2CCCc3nc([C@@H](C)NC(=O)c4ccc(F)cc4)ccc32)n1 Homo sapiens CHEMBL4689679 tissue-based format
CHEMBL4863701 OBDepict F N H O N H H N N CH 3 IC50 = 3.8 nM 414.48 Cc1nccc(N2c3ccc(C4(NC(=O)c5ccc(F)cc5)CC4)cc3[C@H]3CC[C@H]32)n1 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4869547 OBDepict CH 3 N H H H H H O H N F N Cl F F IC50 = 3.9 nM 447.89 CC[C@@H](NC(=O)c1ccc(Cl)c(F)c1)[C@@H]1[C@H]2C[C@H](n3cnc4cc(F)c(F)cc43)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4861395 OBDepict Cl N H O H 3 C H H H N F IC50 = 3.9 nM 410.92 C[C@@H](C(=O)Nc1ccc(Cl)cc1)[C@H]1CC[C@H](c2ccnc3ccc(F)cc32)CC1 Homo sapiens CHEMBL4810784 cell-based format
CHEMBL4852537 OBDepict O N H N F N O Cl IC50 = 3.9 nM 429.92 O=C(CN1CCC2C(CCCN2C(=O)c2cccc(Cl)c2)C1)Nc1ccc(F)cc1 Homo sapiens CHEMBL4810784 cell-based format
CHEMBL4562263 OBDepict CH 3 CH 3 N NH S N N CH 3 O H 3 C O HO H 3 C IC50 = 4.0 nM 482.65 Cc1nsc(Nc2cc(-c3c(C)oc(C)c3C(=O)O)ccc2N(CC(C)C)C2CCCCC2)n1 Homo sapiens CHEMBL4482018 cell-based format
CHEMBL4856417 OBDepict CH 3 N H H H H O H N N Cl F F IC50 = 4.0 nM 429.9 CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@H](n3cnc4ccc(F)c(F)c43)C[C@H]21 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4877466 OBDepict Cl N H O H 3 C H H H H 3 C N CH 3 IC50 = 4.0 nM 370.92 Cc1nccc([C@H]2CC[C@@H]([C@@H](C)NC(=O)c3ccc(Cl)cc3)CC2)c1C Homo sapiens CHEMBL4824876 tissue-based format
CHEMBL4779097 OBDepict F N H H CH 3 H N N H N Cl IC50 = 4.0 nM 408.91 C[C@@H](c1nc2ncc(Cl)cc2[nH]1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 Homo sapiens CHEMBL4725179 tissue-based format
CHEMBL4207581 OBDepict CH 3 CH 3 N N H CH 3 H 3 C NH O N N N H N H 3 C IC50 = 4.0 nM 497.65 Cc1ccc(NC(=O)Nc2cc(-c3ccccc3-c3nnn[nH]3)ccc2N(CC(C)C)CC(C)C)cc1 Homo sapiens CHEMBL4188148 cell-based format
CHEMBL4847565 OBDepict O N H N Cl N O O IC50 = 4.1 nM 397.86 O=C(NC1(c2ccc3c(n2)CCN3C(=O)OC2CC2)CC1)c1ccc(Cl)cc1 Homo sapiens CHEMBL4813761 cell-based format
CHEMBL4873928 OBDepict Cl HN O H H H H O N F IC50 = 4.2 nM 410.88 O=C(NC[C@H]1[C@H]2C[C@@H](Oc3ccnc4ccc(F)cc34)C[C@@H]12)c1ccc(Cl)cc1 Homo sapiens CHEMBL4843237 cell-based format
CHEMBL4777480 OBDepict CH 3 H 3 C N N H CH 3 H 3 C HN O H H O OH CH 3 IC50 = 4.2 nM 437.58 Cc1ccc(NC(=O)Nc2cc([C@H]3C[C@H]3C(=O)O)ccc2N(CC(C)C)CC(C)C)cc1 Homo sapiens CHEMBL4734646 cell-based format
CHEMBL4591635 OBDepict H 3 C CH 3 N NH HN O CH 3 O O HO H 3 C CH 3 IC50 = 4.2 nM 517.67 Cc1ccc(NC(=O)Nc2cc(-c3c(C)oc(C)c3C(=O)O)ccc2N(CC(C)C)C2CCCCC2)cc1 Homo sapiens CHEMBL4482018 cell-based format