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Q9NWZ3 | IRAK4_HUMAN | Interleukin-1 receptor-associated kinase 4 (IRAK4)

3D structures mapped by conservation among orthologs

[ Domain: "DEATH domain" // Death ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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

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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
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -14100.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804395 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -8700.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804395 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -6400.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804395 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -700.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804395 cell-based format
CHEMBL4556091 OBDepict O N F H N HO H 3 C CH 3 HN O N N N N IC50 = 0.026 nM 535.62 CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(N4CCC4)CC3)cc2C1=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL4566431 OBDepict O N F H N HO H 3 C CH 3 HN N O N N N O IC50 = 0.078 nM 537.6 CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(C4COC4)CC3)cc2C1=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL4545898 OBDepict F F N N HN O N O N N N F H OH H 3 C H 3 C IC50 = 0.081 nM 545.57 CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(CC(F)F)CC3)cc2C1=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL4066705 OBDepict H 3 C H H N H H F O O N O H 3 C O H 2 N IC50 = 0.1 nM 361.37 CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F Homo sapiens CHEMBL4015944 single protein format
CHEMBL4445098 OBDepict O N F H N HO H 3 C CH 3 HN N O N N N F F IC50 = 0.1 nM 571.6 CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCN(C4CC(F)(F)C4)CC3)cc2C1=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL4568894 OBDepict O N F H N HO H 3 C CH 3 HN O N N N N F F IC50 = 0.11 nM 571.6 CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(N4CC(F)(F)C4)CC3)cc2C1=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL4472406 OBDepict O N N HO H 3 C CH 3 NH O O N N N IC50 = 0.16 nM 464.53 CC(C)(O)CCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL4475494 OBDepict O N F H N OH CH 3 CH 3 HN O O N N N IC50 = 0.19 nM 482.52 CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL3634383 OBDepict H 3 C N N NH F F O S N N NH H H NH 2 IC50 = 0.2 nM 421.48 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL4081711 OBDepict H 3 C H H N H H F O O N O H 3 C O H 2 N IC50 = 0.2 nM 361.37 CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F Homo sapiens CHEMBL4015944 single protein format
CHEMBL3634510 OBDepict H 3 C N N N H F F O N N N HN H NH IC50 = 0.2 nM 404.43 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(C(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL4520946 OBDepict H 3 C H H N H H F O O O H 3 C O H 2 N IC50 = 0.2 nM 360.39 CC[C@H]1[C@@H](COc2cccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F Homo sapiens CHEMBL4331758 single protein format
CHEMBL3590479 OBDepict H 3 C N N NH F F O N N N NH H H NH 2 IC50 = 0.2 nM 404.43 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)F)n1 Homo sapiens CHEMBL3592269 single protein format
CHEMBL3353189 OBDepict CH 3 N N N H O H 2 N O N O N HN F F F ClH IC50 = 0.24 nM 445.79 Cl.Cn1cc(NC(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)c(C(N)=O)n1 Homo sapiens CHEMBL3380177 single protein format
CHEMBL3590478 OBDepict CH 3 N N HN F F F O N N N HN H H H 2 N IC50 = 0.3 nM 422.42 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)(F)F)n1 Homo sapiens CHEMBL3592269 single protein format
CHEMBL4093120 OBDepict CH 3 O O H 2 N O N H N H H CH 3 O H F IC50 = 0.3 nM 347.35 COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O Homo sapiens CHEMBL4015944 single protein format
CHEMBL3590474 OBDepict H 3 C N N NH O NH 2 O N N N NH H H NH 2 IC50 = 0.3 nM 397.44 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(N)=O)n1 Homo sapiens CHEMBL3592269 single protein format
CHEMBL3634613 OBDepict CH 3 N N Cl HN O S N N HN H H H 2 N IC50 = 0.3 nM 405.92 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3353199 OBDepict OH H H HO NH H HO N N N H N S CH 3 N H 3 C ClH IC50 = 0.32 nM 515.04 Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1.Cl Homo sapiens CHEMBL3380186 single protein format
CHEMBL4466981 OBDepict CH 3 O H 3 C H 3 C N O HN N O O N N N IC50 = 0.32 nM 478.55 COC(C)(C)CCN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL3735504 OBDepict HO H H N N H N O NH O F F F H 3 C CH 3 H 3 C Ki = 0.34 nM 516.56 CC(C)(C)C(=O)Nc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2[C@H]1CC[C@@H](CO)CC1 Homo sapiens CHEMBL3737182 single protein format
CHEMBL3353188 OBDepict O N H N O N N O H 2 N N NH N F F F ClH IC50 = 0.36 nM 508.85 Cl.NC(=O)c1nn(-c2cccnc2)cc1NC(=O)c1coc(-c2ccnc(NCC(F)(F)F)c2)n1 Homo sapiens CHEMBL3380177 single protein format
CHEMBL4468790 OBDepict H 3 C N O NH N O O N N N IC50 = 0.38 nM 392.42 CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL3634509 OBDepict CH 3 N N N H F F O S N N NH H HN IC50 = 0.4 nM 407.45 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(C(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3634616 OBDepict N N N NH H 3 C O S N N N H H H H 2 N IC50 = 0.4 nM 396.48 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C#N)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3736036 OBDepict HO H H N HN N O N F F F Ki = 0.42 nM 514.59 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3737182 single protein format
CHEMBL4452765 OBDepict O N N NH O O O N N N IC50 = 0.47 nM 476.54 O=C(Nc1cc2c(cc1N1CCOCC1)C(=O)N(CC1CCOCC1)C2)c1cnn2cccnc12 Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL3734814 OBDepict OH H H N NH N O HO F F F Ki = 0.48 nM 447.46 O=C(Nc1nc2ccc(CO)cc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3737182 single protein format
CHEMBL3634381 OBDepict H 3 C N N NH F F O N N N NH H H NH 2 IC50 = 0.5 nM 404.43 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(C(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL4091434 OBDepict CH 3 H H N H O O N O CH 3 O NH 2 IC50 = 0.5 nM 343.38 CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 Homo sapiens CHEMBL4015944 single protein format
CHEMBL3590516 OBDepict CH 3 N N HN F F F O N N N N H H 2 N H F IC50 = 0.5 nM 426.38 Cn1cc(NC(=O)c2cnn3ccc(N4C[C@H](N)C[C@@H](F)C4)nc23)c(C(F)(F)F)n1 Homo sapiens CHEMBL3592269 single protein format
CHEMBL3590515 OBDepict H 3 C N N NH F F O N N N N H NH 2 F F IC50 = 0.5 nM 426.38 Cn1cc(NC(=O)c2cnn3ccc(N4C[C@H](N)CC(F)(F)C4)nc23)c(C(F)F)n1 Homo sapiens CHEMBL3592269 single protein format
CHEMBL4474636 OBDepict OH N NH N S O N N N N O Ki = 0.5 nM 493.59 O=C(Nc1cc2sc(N3CCOCC3)nc2cc1N1CCC(CO)CC1)c1cnn2cccnc12 Homo sapiens CHEMBL4359940 assay format
CHEMBL4464832 OBDepict OH N NH N S O N H 3 C H 3 C N N N Ki = 0.5 nM 451.56 CN(C)c1nc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc2s1 Homo sapiens CHEMBL4359940 assay format
CHEMBL3734872 OBDepict O N N N N H H O H HO + N O _ O Ki = 0.5 nM 477.52 O=C(Nc1nc2cc(CN3CCCC3=O)ccc2n1[C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3737182 single protein format
CHEMBL4791626 OBDepict H 3 C N H 3 C N N N H OH H 3 C H 3 C O N F F F IC50 = 0.55 nM 435.45 CN(C)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(C(C)(C)O)cc2n1 Homo sapiens CHEMBL4678083 single protein format
CHEMBL4085199 OBDepict CH 3 O O H 2 N O N H N H H O H H 3 C F IC50 = 0.6 nM 359.36 COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)[C@@H](C)[C@H]34)nccc2cc1C(N)=O Homo sapiens CHEMBL4015944 single protein format
CHEMBL3634511 OBDepict H 3 C N N N H F F O N N N HN H NH IC50 = 0.7 nM 404.43 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCCNC4)nn23)c(C(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3634615 OBDepict N N N NH H 3 C O N N N H H H H 2 N IC50 = 0.7 nM 378.44 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(C#N)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3734854 OBDepict OH H H N NH N O N + N O _ O Ki = 0.7 nM 491.59 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3737182 single protein format
CHEMBL3601192 OBDepict OH H H HO H HN H HO N N N H N CH 3 N CH 3 IC50 = 0.74 nM 472.55 Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1 Homo sapiens CHEMBL3603417 single protein format
CHEMBL3590477 OBDepict N N N NH H 3 C O N N N N H H H H 2 N IC50 = 0.8 nM 379.43 Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C#N)n1 Homo sapiens CHEMBL3592269 single protein format
CHEMBL3634505 OBDepict CH 3 N N N H F F F O S N N HN H N H IC50 = 0.8 nM 425.44 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(C(F)(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL4568867 OBDepict O N H N N N N S N N O O Ki = 0.8 nM 465.54 O=C(Nc1cc2sc(N3CCOCC3)nc2cc1N1CCOCC1)c1cnn2cccnc12 Homo sapiens CHEMBL4359940 assay format
CHEMBL3634508 OBDepict CH 3 N N N H F F O N N NH H HN IC50 = 0.9 nM 389.41 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(C(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL4113747 OBDepict N N N N N N H N H O N N S F H O O H 3 C OH H 3 C H 3 C IC50 = 0.9 nM 527.54 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(S(C)(=O)=O)c1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL3590488 OBDepict H 3 C N N NH F F O N N N N NH IC50 = 1.0 nM 376.37 Cn1cc(NC(=O)c2cnn3ccc(N4CCNCC4)nc23)c(C(F)F)n1 Homo sapiens CHEMBL3592269 single protein format
CHEMBL3353219 OBDepict NH 2 N N H Cl O N N N HO IC50 = 1.0 nM 400.87 NCC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1 Homo sapiens CHEMBL3380177 single protein format
CHEMBL4112434 OBDepict N N N N N H N H O F F H HO CH 3 CH 3 IC50 = 1.0 nM 468.51 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC1CCC(F)C1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL3590493 OBDepict H 3 C N N NH F F F O N N N N H NH 2 F F IC50 = 1.0 nM 444.37 Cn1cc(NC(=O)c2cnn3ccc(N4C[C@H](N)CC(F)(F)C4)nc23)c(C(F)(F)F)n1 Homo sapiens CHEMBL3592269 single protein format
CHEMBL4106613 OBDepict N N N N N H HN O O F H OH H 3 C H 3 C IC50 = 1.0 nM 438.46 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC1COC1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL3634513 OBDepict CH 3 N N Cl HN O N N N HN H H H 2 N IC50 = 1.0 nM 388.86 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3634614 OBDepict N N N NH H 3 C O N N N N H H H H 2 N IC50 = 1.0 nM 379.43 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(C#N)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL4108575 OBDepict N N N N N H HN O F H OH H 3 C H 3 C IC50 = 1.0 nM 436.49 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC1CCC1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4106870 OBDepict N N N N NH N H O O F H HO CH 3 CH 3 IC50 = 1.0 nM 466.52 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC1CCOCC1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL256570 OBDepict Cl N N N N H HN IC50 = 1.0 nM 327.82 Clc1ccc2ncc(-c3cccc(NC4CCNCC4)n3)n2c1 Homo sapiens CHEMBL921622 single protein format
CHEMBL3634514 OBDepict CH 3 N N Cl HN O N N HN H H H 2 N IC50 = 1.0 nM 387.88 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3634507 OBDepict CH 3 N N N H F F O N N N NH H HN IC50 = 1.0 nM 390.4 Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(C(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL401633 OBDepict Cl N N N N H HN IC50 = 1.0 nM 313.79 Clc1ccc2ncc(-c3cccc(NC4CCNC4)n3)n2c1 Homo sapiens CHEMBL921622 single protein format
CHEMBL4106804 OBDepict N NH 2 N N N N N H NH O H 3 C CH 3 H 3 C F H OH CH 3 H 3 C IC50 = 1.0 nM 454.51 CC(C)(C)Nc1cc(-n2ncc3cc(C#N)c(N)nc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O Homo sapiens CHEMBL3887118 single protein format
CHEMBL3634382 OBDepict H 3 C N N NH F F O N N NH H H NH 2 IC50 = 1.0 nM 403.44 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(C(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3634380 OBDepict CH 3 N N HN F F F O S N N HN H H H 2 N IC50 = 1.0 nM 439.47 Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3634504 OBDepict CH 3 N N N H F F F O N N HN H N H IC50 = 1.0 nM 407.4 Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(C(F)(F)F)n1 Homo sapiens CHEMBL3637446 single protein format
CHEMBL3361255 OBDepict H 2 N O OH H H S N N O H H N O Ki = 1.0 nM 446.57 NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@H](N5CCOCC5)CC4)c3c21 Homo sapiens CHEMBL3380178 single protein format
CHEMBL4110834 OBDepict H 3 C NH CH 3 N N N H O N F H N HO CH 3 CH 3 IC50 = 1.1 nM 400.46 CC(C)Nc1cc(-n2ccc3cncnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O Homo sapiens CHEMBL3887118 single protein format
CHEMBL3902828 OBDepict H 3 C NH O H H N H O N NH N H 3 C CH 3 N N IC50 = 1.1 nM 459.55 CNC(=O)[C@H]1CC[C@H](NC(=O)c2cnc(-n3ccc4cc(C#N)cnc43)cc2NC(C)C)CC1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4112384 OBDepict N N N N N NH N H O N H N F H HO CH 3 CH 3 IC50 = 1.1 nM 489.52 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cc(C2CC2)n[nH]1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4520118 OBDepict O N H N N N N O O NH 2 H 3 C CH 3 O Ki = 1.1 nM 436.47 CC1(C)Cc2cc(NC(=O)c3cnn4cc(C(N)=O)cnc34)c(N3CCOCC3)cc2O1 Homo sapiens CHEMBL4359940 assay format
CHEMBL4515682 OBDepict OH N NH N O O N N N N O Ki = 1.2 nM 477.53 O=C(Nc1cc2oc(N3CCOCC3)nc2cc1N1CCC(CO)CC1)c1cnn2cccnc12 Homo sapiens CHEMBL4359940 assay format
CHEMBL1236126 OBDepict OH N N H N O O + N O O _ O CH 3 H 3 C CH 3 Ki = 1.2 nM 440.46 CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2CCCO Homo sapiens CHEMBL3380177 single protein format
CHEMBL4109209 OBDepict N N N N HN N H O OH F H F H 3 C H 3 C IC50 = 1.2 nM 476.49 CC(C)(F)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1Nc1cccc(O)c1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4536154 OBDepict O N H N N N N N S O O O F H HO H 3 C CH 3 IC50 = 1.2 nM 518.57 CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2S1(=O)=O Homo sapiens CHEMBL4345131 tissue-based format
CHEMBL4107911 OBDepict N N N N NH HN O HO F H HO H 3 C CH 3 IC50 = 1.2 nM 492.56 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC12CCC(O)(CC1)C2 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4106801 OBDepict N N N N N H HN O N N F H CH 3 HO H 3 C H 3 C IC50 = 1.2 nM 476.52 CCn1cc(Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4106665 OBDepict N N N N N H N H O H F H H HO CH 3 CH 3 O NH 2 IC50 = 1.2 nM 507.57 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N[C@H]1CC[C@H](C(N)=O)CC1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4110862 OBDepict H 3 C O N O H N H N N N H O N F H OH H 3 C H 3 C N IC50 = 1.2 nM 509.54 COC(=O)N1CC[C@@H](Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4114460 OBDepict N N N N N H HN O H 3 C F H HO H 3 C CH 3 IC50 = 1.2 nM 436.49 CC1(Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@@H](F)C(C)(C)O)CC1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL3736465 OBDepict OH N HN N O N F F F Ki = 1.3 nM 522.57 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3737182 single protein format
CHEMBL4110352 OBDepict N N N N N H HN O F H OH H 3 C H 3 C N N N H 3 C N IC50 = 1.3 nM 540.56 Cn1nnnc1-c1ccc(Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cc1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4108510 OBDepict N N N N N H HN O N N CH 3 F H HO H 3 C H 3 C IC50 = 1.3 nM 462.49 Cn1cc(Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4111288 OBDepict N N N N NH N H O H N S F H O O CH 3 HO CH 3 CH 3 IC50 = 1.3 nM 529.6 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N[C@@H]1CCN(S(C)(=O)=O)C1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4111498 OBDepict F N N N H N N NH O N N F H OH CH 3 H 3 C Cl IC50 = 1.3 nM 518.96 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(Cl)cnc32)cc1Nc1cnn(CCCF)c1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4791581 OBDepict CH 3 N N N H F F O N N N NH H HN IC50 = 1.3 nM 390.4 Cn1cc(NC(=O)c2cnc3ccc(N[C@@H]4CCCNC4)nn23)c(C(F)F)n1 Homo sapiens CHEMBL4767781 assay format
CHEMBL4110464 OBDepict F F N N N H N N NH O N N F H OH CH 3 H 3 C Cl IC50 = 1.3 nM 522.92 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(Cl)cnc32)cc1Nc1cnn(CC(F)F)c1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4111280 OBDepict N N N N N N H N H O N N F H HO CH 3 CH 3 F F IC50 = 1.3 nM 513.48 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4114114 OBDepict N N N N N H N H O H F H H 3 C OH HO CH 3 CH 3 IC50 = 1.3 nM 494.57 CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N[C@H]1CC[C@@](C)(O)CC1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL4103497 OBDepict H 3 C H H NH O O N O CH 3 O NH 2 IC50 = 1.3 nM 357.41 CCC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 Homo sapiens CHEMBL4015944 single protein format
CHEMBL4109233 OBDepict N H 2 N N N N N NH HN O H 3 C CH 3 F H HO H 3 C CH 3 IC50 = 1.3 nM 440.48 CC(C)Nc1cc(-n2ncc3cc(C#N)c(N)nc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O Homo sapiens CHEMBL3887118 single protein format
CHEMBL4111162 OBDepict H 3 C NH CH 3 N N N H O N F H H 2 N N HO CH 3 CH 3 IC50 = 1.3 nM 415.47 CC(C)Nc1cc(-n2ccc3cnc(N)nc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O Homo sapiens CHEMBL3887118 single protein format
CHEMBL3361255 OBDepict H 2 N O OH H H S N N O H H N O IC50 = 1.3 nM 446.57 NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@H](N5CCOCC5)CC4)c3c21 Homo sapiens CHEMBL4331758 single protein format
CHEMBL4083655 OBDepict CH 3 O O H 2 N O H N H O IC50 = 1.3 nM 314.34 COc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O Homo sapiens CHEMBL4015944 single protein format
CHEMBL4475494 OBDepict O N F H N OH CH 3 CH 3 HN O O N N N Ki = 1.4 nM 482.52 CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2C1=O Homo sapiens CHEMBL4345130 assay format
CHEMBL3985561 OBDepict N N N N N NH N H O H 3 C CH 3 H H OH CH 3 H 3 C IC50 = 1.4 nM 461.57 CC(C)Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)N[C@H]1CC[C@H](C(C)(C)O)CC1 Homo sapiens CHEMBL3887118 single protein format
CHEMBL3921810 OBDepict N N N N HN N H O F CH 3 H F H OH H 3 C H 3 C IC50 = 1.4 nM 442.47 C[C@H](F)CNc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O Homo sapiens CHEMBL3887118 single protein format
CHEMBL4109646 OBDepict N N N N HN N H O CH 3 CH 3 F H OH H 3 C IC50 = 1.4 nM 410.45 CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC[C@@H](F)C(C)O Homo sapiens CHEMBL3887118 single protein format
CHEMBL4111230 OBDepict H 3 C N N N H N N N H O N F H OH H 3 C H 3 C N IC50 = 1.4 nM 490.54 CCCn1cc(Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1 Homo sapiens CHEMBL3887118 single protein format