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Q06187 | BTK_HUMAN | Tyrosine-protein kinase BTK (BTK)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "SH2" // SH2 ]

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[ Domain: "PH domain-like" // PH ]

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[ Domain: "Btk/CHORD zinc fingers" // BTK ]

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[ Domain: "SH3" // SH3_1 ]

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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
CHEMBL4113670 OBDepict O N H CH 3 H H N N N H 2 N N H O N F F F IC50 = 0.058 nM 549.56 C[C@@H]1CC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4648442 OBDepict HC N H O H N F H 3 C N CH 3 H O NH 2 IC50 = 0.07 nM 356.4 C#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1 Homo sapiens CHEMBL4616764 single protein format
CHEMBL4113445 OBDepict O O N H H N N N H 2 N HN O N F F F IC50 = 0.075 nM 551.53 Nc1nccn2c([C@@H]3CC[C@H]4CCOC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4240879 OBDepict CH 2 S N H O O H 3 C N H O H 2 N OH CH 3 H 3 C IC50 = 0.079 nM 467.59 C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1C Homo sapiens CHEMBL4235696 assay format
CHEMBL4109744 OBDepict O N H OH H H N N N H 2 N HN O N F F F IC50 = 0.081 nM 551.53 Nc1nccn2c([C@@H]3CC[C@H]4C[C@H](O)C(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4109282 OBDepict O O N H H N N N H 2 N F HN O N F F F IC50 = 0.083 nM 555.49 Nc1nccn2c([C@@H]3CC[C@H]4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4749037 OBDepict O O N H H N N N H 2 N HN O N F F F IC50 = 0.083 nM 537.5 Nc1nccn2c([C@@H]3CC[C@H]4COC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL4727415 cell-based format
CHEMBL3938520 OBDepict O N H CH 3 H H N N N H 2 N N H O N F F F IC50 = 0.085 nM 549.56 C[C@H]1CC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@@H]12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4279353 OBDepict H 2 C HN O H N N N H O H 2 N N IC50 = 0.09 nM 474.61 C=CC(=O)N[C@@H]1CN(c2ccc(C(N)=O)c(Nc3ccc(CCN4CCCC4)cc3)n2)CC12CC2 Homo sapiens CHEMBL4264696 assay format
CHEMBL3652654 OBDepict OH N N N N O N H O NH 2 F N N CH 3 CH 3 H 3 C N H 3 C IC50 = 0.09 nM 585.64 CN1CCn2nc(Nc3nn(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)cc3C(N)=O)cc2C1 Homo sapiens CHEMBL3705288 single protein format
CHEMBL4109792 OBDepict O N N CH 3 H H N N N H 2 N N H O N F F F IC50 = 0.092 nM 564.57 CN1CC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3924979 OBDepict O N H H N N N H 2 N F HN O N F F F IC50 = 0.095 nM 567.55 Nc1nccn2c([C@H]3CC[C@@H]4CCCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4108545 OBDepict O O N H CH 3 H H N N N H 2 N F N H O N F F F IC50 = 0.096 nM 569.52 C[C@H]1OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)CC[C@@H]12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4079005 OBDepict HO O N N N NH 2 F NH O N F F F IC50 = 0.1 nM 562.48 Nc1nccn2c(C34C5C6C3C3C4C5C63C(=O)O)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4074833 OBDepict OH O CH 3 CH 3 N N N H 2 N N H O N F F F IC50 = 0.1 nM 552.56 C[C@]1(C(=O)O)CCC[C@@](C)(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4276669 OBDepict H 2 C N O H H N N N H O H 2 N N CH 3 IC50 = 0.1 nM 378.44 C=CC(=O)N1C[C@H]2C[C@@H]1CN2c1ccc(C(N)=O)c(Nc2ccc(C)nc2)n1 Homo sapiens CHEMBL4264696 assay format
CHEMBL4106978 OBDepict O N H H N N N H 2 N HN O N F F F IC50 = 0.1 nM 535.53 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4097957 OBDepict OH O H H H H N N N H 2 N N H O N F F F IC50 = 0.1 nM 522.49 Nc1nccn2c([C@@H]3C[C@H]4[C@@H](C3)[C@@H]4C(=O)O)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4110644 OBDepict O O N H CH 3 H H N N N H 2 N N H O N F F F IC50 = 0.11 nM 551.53 C[C@H]1OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@@H]12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4108563 OBDepict O N H H N N N H 2 N F HN O N F F F IC50 = 0.11 nM 553.52 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3652680 OBDepict HO N N N N O NH O NH 2 H 3 C CH 3 H 3 C O CH 3 IC50 = 0.12 nM 550.62 CC(=O)c1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)ccc5c4=O)c3CO)cc2C(N)=O)cc1 Homo sapiens CHEMBL3705288 single protein format
CHEMBL4108825 OBDepict O N O H H N N N H 2 N F HN O N F F F IC50 = 0.12 nM 569.52 Nc1nccn2c([C@@H]3CC[C@H]4COCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4112025 OBDepict O N H H N N N H 2 N F HN O N F F IC50 = 0.12 nM 535.53 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)F)ccn4)cc3F)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4108687 OBDepict O O N H 3 C CH 3 H H N N N H 2 N N H O N F F F IC50 = 0.13 nM 565.56 CC1(C)OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]21 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4108579 OBDepict OH N O N H H N N N H 2 N HN O N F F F IC50 = 0.13 nM 594.6 Nc1nccn2c([C@@H]3CC[C@H]4CN(CCO)CC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4108593 OBDepict O N H OH H H N N N H 2 N HN O N F F F IC50 = 0.13 nM 551.53 Nc1nccn2c([C@@H]3CC[C@H]4C[C@@H](O)C(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3925102 OBDepict H 2 C N O N N N H O NH 2 O IC50 = 0.13 nM 455.52 C=CC(=O)N1CCC(c2c[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn23)CC1 Homo sapiens CHEMBL3889138 single protein format
CHEMBL4109294 OBDepict O HN N F O N N H 2 N N H N H O IC50 = 0.13 nM 541.59 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(OC5CC5)ccn4)cc3F)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4107482 OBDepict CH 3 O N N H O N H 2 N N N H N F F F H O O H H 3 C IC50 = 0.13 nM 581.56 COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4108295 OBDepict O N H CH 3 O H H N N N H 2 N N H O N F F F IC50 = 0.13 nM 565.56 C[C@H]1OC[C@@H]2CC[C@@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3942777 OBDepict O O N H CH 3 H H N N N H 2 N N H O N F F F IC50 = 0.14 nM 551.53 C[C@@H]1OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@@H]12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3968222 OBDepict H 2 C N O N N N H O NH 2 O IC50 = 0.14 nM 427.46 C=CC(=O)N1CCc2[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3c2C1 Homo sapiens CHEMBL3889138 single protein format
CHEMBL4634162 OBDepict HC N H O H N H 3 C N CH 3 H O NH 2 IC50 = 0.14 nM 338.41 C#CC(=O)N[C@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1 Homo sapiens CHEMBL4616764 single protein format
CHEMBL3916919 OBDepict O N CH 3 CH 3 H H N N N H 2 N N H O N F F F IC50 = 0.14 nM 563.58 CC1(C)C[C@H]2CC[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CN2C1=O Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4744536 OBDepict CH 3 O NH O N O NH O N IC50 = 0.15 nM 452.47 COCC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1 Homo sapiens CHEMBL4726179 cell-based format
CHEMBL3922120 OBDepict H 2 C N O N N N H O H 2 N O IC50 = 0.15 nM 441.49 C=CC(=O)N1CCCc2[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3c2C1 Homo sapiens CHEMBL3889138 single protein format
CHEMBL4784814 OBDepict O N OH CH 3 H H CH 3 H N N N H 2 N F N H O N F F F IC50 = 0.15 nM 585.56 C[C@H](O)C(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CC[C@@H]1C Homo sapiens CHEMBL4717034 cell-based format
CHEMBL3954730 OBDepict CH 2 HN O N N HN O H 2 N Cl Cl O H 3 C IC50 = 0.15 nM 486.36 C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3cc(Cl)c(OC)c(Cl)c3)nn21 Homo sapiens CHEMBL3889138 single protein format
CHEMBL4106573 OBDepict O N H H N N Cl N H 2 N HN O N F F F IC50 = 0.16 nM 569.98 Nc1ncc(Cl)n2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4110388 OBDepict H 3 C O N N H O N H 2 N N N H N F F F H O IC50 = 0.16 nM 579.58 CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4111650 OBDepict CH 3 N N H O N N NH 2 N H N H O IC50 = 0.16 nM 495.59 CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)c1 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4752314 OBDepict H 3 C N O H CH 3 H N N N H 2 N F N H O N F F F IC50 = 0.17 nM 555.54 CC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CC[C@@H]1C Homo sapiens CHEMBL4717034 cell-based format
CHEMBL3922148 OBDepict O O N H CH 3 H H N N N H 2 N F N H O N F F F IC50 = 0.17 nM 569.52 C[C@@H]1OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)CC[C@@H]12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4447328 OBDepict H 2 C N O H N N H 2 N O NH 2 O IC50 = 0.17 nM 431.5 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2N)C1 Homo sapiens CHEMBL4414892 single protein format
CHEMBL4110653 OBDepict O O N H CH 3 H H N N N H 2 N HN O N IC50 = 0.17 nM 523.6 C[C@H]1OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C6CC6)ccn5)cc4)c4c(N)nccn34)CC[C@@H]12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3905984 OBDepict CH 3 N H 3 C N O N N H N O H 2 N O IC50 = 0.17 nM 484.56 CN(C)C/C=C/C(=O)N1CCc2c([nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn23)C1 Homo sapiens CHEMBL3889138 single protein format
CHEMBL4113354 OBDepict O NH N N N H 2 N N H N H O IC50 = 0.18 nM 507.6 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3962133 OBDepict H 2 C N O N N H N O H 2 N O IC50 = 0.18 nM 427.46 C=CC(=O)N1CCc2c([nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn23)C1 Homo sapiens CHEMBL3889138 single protein format
CHEMBL3652668 OBDepict HO N N N N O HN O H 2 N F N CH 3 H 3 C CH 3 N IC50 = 0.18 nM 552.57 CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(C#N)cn5)n4)c3CO)ncc2c1 Homo sapiens CHEMBL3705288 single protein format
CHEMBL4520801 OBDepict H 2 C N O H N N H 2 N O NH 2 O Cl IC50 = 0.18 nM 465.94 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3)c(C(N)=O)c2N)C1 Homo sapiens CHEMBL4385484 assay format
CHEMBL4113263 OBDepict CH 3 O N N H O N H 2 N N N H N F F F H O O CH 3 H 3 C IC50 = 0.18 nM 595.58 COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)OC3(C)C)n2ccnc(N)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4114929 OBDepict CH 3 O N N H O N H 2 N N N H N F F F H O IC50 = 0.19 nM 565.56 COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3973566 OBDepict H 3 C N CH 3 N O N N N H O H 2 N O IC50 = 0.19 nM 484.56 CN(C)C/C=C/C(=O)N1CCc2[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3c2C1 Homo sapiens CHEMBL3889138 single protein format
CHEMBL4798236 OBDepict O N OH H 3 C H H CH 3 H N N N H 2 N F N H O N F F F IC50 = 0.19 nM 585.56 C[C@H]1CC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CN1C(=O)[C@@H](C)O Homo sapiens CHEMBL4717034 cell-based format
CHEMBL4107467 OBDepict O N H N N N NH 2 N H N H O IC50 = 0.19 nM 517.59 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc5ccccc5cn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4466205 OBDepict H 2 C N O H N N O IC50 = 0.2 nM 423.52 C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3ccccc32)C1 Homo sapiens CHEMBL4375192 assay format
CHEMBL4543998 OBDepict CH N O HN N N NH 2 O IC50 = 0.2 nM 427.51 C#CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1 Homo sapiens CHEMBL4375192 assay format
CHEMBL4068919 OBDepict HO O CH 3 H 3 C N N N H 2 N N H O N F F F IC50 = 0.2 nM 538.53 C[C@]1(C(=O)O)CC[C@@](C)(c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4068131 OBDepict OH O N N N H 2 N N H O N F F F IC50 = 0.2 nM 536.51 Nc1nccn2c1c(-c1ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc1)nc2[C@]12CC[C@](C(=O)O)(CC1)C2 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4070865 OBDepict NH 2 O H H N N N H 2 N N H O N F F F IC50 = 0.2 nM 523.52 NC(=O)[C@H]1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4782313 OBDepict H 3 C N N HN N N CH 3 N H N O H 3 C CH 3 H 3 C IC50 = 0.2 nM 447.59 Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CCC(C(C)(C)C)C1 Homo sapiens CHEMBL4701067 cell-based format
CHEMBL4754065 OBDepict H 3 C N N HN N N CH 3 N H O S N H 3 C CH 3 H 3 C IC50 = 0.2 nM 461.6 Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1 Homo sapiens CHEMBL4701067 cell-based format
CHEMBL4211960 OBDepict HO N N O NH 2 N NH F N N F F IC50 = 0.2 nM 547.54 Nc1cc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)nc(Nc2cnn(CC(F)F)c2)n1 Homo sapiens CHEMBL4182612 single protein format
CHEMBL4059473 OBDepict HO O N N N NH 2 NH O N F F F IC50 = 0.2 nM 550.54 Nc1nccn2c(C34CCC(C(=O)O)(CC3)CC4)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4112223 OBDepict O NH N F N N H 2 N N H N H O IC50 = 0.2 nM 525.59 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3F)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4112201 OBDepict O N H H N N N H 2 N F N H O N F F CH 3 IC50 = 0.21 nM 549.56 CC(F)(F)c1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(F)c2)c1 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4109557 OBDepict N N N H O F N N NH 2 N H N H O IC50 = 0.21 nM 510.53 N#Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)c(F)c2)c1 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4111521 OBDepict O O N H CH 3 H H N N N H 2 N F HN O N IC50 = 0.21 nM 541.59 C[C@H]1OC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C6CC6)ccn5)cc4F)c4c(N)nccn34)CC[C@@H]12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3652657 OBDepict HO N N N N O NH O NH 2 F N N CH 3 H 3 C CH 3 H 3 C IC50 = 0.22 nM 530.56 Cn1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cc2C(N)=O)n1 Homo sapiens CHEMBL3705288 single protein format
CHEMBL3891545 OBDepict F O NH 2 N CH 3 H N O O N OH H 3 C H 3 C Cl IC50 = 0.22 nM 571.01 Cc1c(-c2c(F)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)cc2c(Cl)cccn2c1=O Homo sapiens CHEMBL3888436 single protein format
CHEMBL4111645 OBDepict O N NH H H N N N H 2 N HN O N F F F IC50 = 0.22 nM 550.55 Nc1nccn2c([C@@H]3CC[C@H]4CNCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4107715 OBDepict CH 3 O N N H O N H 2 N N N H Cl N F F F H O IC50 = 0.22 nM 600.0 COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4111890 OBDepict CH 2 HN O H N N N H O NH 2 O H 3 C H 3 C IC50 = 0.23 nM 431.5 C=CC(=O)Nc1ccccc1[C@H]1CCNc2c(C(N)=O)c(-c3ccc(C)c(OC)c3)nn21 Homo sapiens CHEMBL3889138 single protein format
CHEMBL4868813 OBDepict O N H O N N H H 3 C CH 3 H 3 C N N N H N N H 3 C H 3 C IC50 = 0.23 nM 524.63 CC(C)n1cc(-c2nc3c(-c4ccc5c(c4)CCC[C@@H]5NC(=O)c4nc(C(C)(C)C)no4)ccnc3[nH]2)cn1 Homo sapiens CHEMBL4822448 single protein format
CHEMBL4060363 OBDepict H 2 C NH O N H N Cl N N H O O O O IC50 = 0.23 nM 523.98 C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCC(=O)OCC4CCCO4)cc3)ncc2Cl)c1 Homo sapiens CHEMBL3992978 cell-based format
CHEMBL3652662 OBDepict HO N N N N O NH O NH 2 F N H 3 C CH 3 H 3 C H 3 C IC50 = 0.24 nM 541.59 Cc1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cc2C(N)=O)nc1 Homo sapiens CHEMBL3705288 single protein format
CHEMBL4112085 OBDepict O HN N O N N H 2 N N H N H O IC50 = 0.24 nM 523.6 Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(OC5CC5)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3652659 OBDepict OH N N N N O NH O NH 2 F N H 3 C CH 3 H 3 C F IC50 = 0.24 nM 545.55 CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(F)cn5)n4)c3CO)ncc2c1 Homo sapiens CHEMBL3705288 single protein format
CHEMBL458333 OBDepict CH 3 O H 3 C CH 3 N N N N H N N H H 3 C H 3 C O N Ki = 0.25 nM 543.72 COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCN4CCCC4)cc3)nc21 Homo sapiens CHEMBL1018102 single protein format
CHEMBL3910427 OBDepict F F N O N H O CH 3 Cl N H O H 2 N H OH H 3 C H 3 C IC50 = 0.25 nM 593.03 Cc1c(-c2c(Cl)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O Homo sapiens CHEMBL3888436 single protein format
CHEMBL4763873 OBDepict O HN N N O O NH O N IC50 = 0.26 nM 507.55 O=C(C#CCN1CCOCC1)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1 Homo sapiens CHEMBL4726179 cell-based format
CHEMBL3945408 OBDepict Cl O H 2 N N CH 3 H N H O N O HO CH 3 CH 3 H F IC50 = 0.26 nM 575.04 Cc1c(-c2c(Cl)cc(C(N)=O)c3[nH]c4c(c23)CC[C@H](C(C)(C)O)C4)cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O Homo sapiens CHEMBL3888436 single protein format
CHEMBL4757041 OBDepict CH 3 N O N H H N N N H 2 N F N H O N F F F IC50 = 0.26 nM 582.56 CN1CC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4F)c4c(N)nccn34)CC[C@H]2C1 Homo sapiens CHEMBL4727415 cell-based format
CHEMBL4113994 OBDepict CH 3 N O N H H N N N H 2 N N H O N F F F IC50 = 0.26 nM 564.57 CN1CC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]2C1 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4114094 OBDepict O N H H O N N N H 2 N HN O N F F F IC50 = 0.26 nM 537.5 Nc1nccn2c([C@H]3CN4C(=O)CC[C@@H]4CO3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3899411 OBDepict N O NH 2 N CH 3 H N O O N OH H 3 C H 3 C H 3 C F IC50 = 0.27 nM 575.6 Cc1c(-c2c(C#N)cc(C(N)=O)c3[nH]c4cc(C(C)(C)O)ccc4c23)cccc1-n1c(=O)c2cccc(F)c2n(C)c1=O Homo sapiens CHEMBL3858905 assay format
CHEMBL4111825 OBDepict CH 3 N O N H H N N N H 2 N N H O N F F F IC50 = 0.27 nM 578.6 CCN1CC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]2C1 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL3901061 OBDepict O N NH H H N N N H 2 N HN O N F F F IC50 = 0.28 nM 550.55 Nc1nccn2c([C@H]3CC[C@H]4CNCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4112426 OBDepict O N H H N N F N H 2 N HN O N F F F IC50 = 0.28 nM 553.52 Nc1ncc(F)n2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4114985 OBDepict CH 3 O F N N H O N H 2 N N N H N F F F H O IC50 = 0.28 nM 583.55 COc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc(F)c1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4798188 OBDepict H 3 C N O H CH 3 H N N N H 2 N F N H O N F F F IC50 = 0.28 nM 569.56 CCC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)c3c(N)nccn23)CC[C@@H]1C Homo sapiens CHEMBL4717034 cell-based format
CHEMBL3652660 OBDepict HO N N N N O NH O NH 2 F N N CH 3 H 3 C H 3 C CH 3 H 3 C IC50 = 0.29 nM 544.59 Cc1cc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cc2C(N)=O)nn1C Homo sapiens CHEMBL3705288 single protein format
CHEMBL3652652 OBDepict OH N N N N O NH O NH 2 F N H 3 C CH 3 H 3 C Cl IC50 = 0.29 nM 562.01 CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(Cl)cn5)n4)c3CO)ncc2c1 Homo sapiens CHEMBL3705288 single protein format
CHEMBL4112832 OBDepict O N N H H 3 C CH 3 H N N N H 2 N N H O N F F F IC50 = 0.29 nM 592.63 CC(C)N1CC(=O)N2C[C@H](c3nc(-c4ccc(C(=O)Nc5cc(C(F)(F)F)ccn5)cc4)c4c(N)nccn34)CC[C@H]2C1 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4110169 OBDepict O N H N N F F F N NH 2 N H N H O IC50 = 0.3 nM 537.55 Nc1nccn2c([C@@H]3CC[C@H]4COCCN4C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3889266 cell-based format
CHEMBL4100424 OBDepict O NH N N F F F N H 2 N N H H N N N H IC50 = 0.3 nM 547.55 Nc1nccn2c([C@@H]3CCC[C@H](c4nnc[nH]4)C3)nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c12 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4081452 OBDepict O NH N N F F F N H 2 N N H H N N N H 3 C N IC50 = 0.3 nM 562.56 Cn1nnnc1[C@H]1CCC[C@@H](c2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)nccn23)C1 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4097019 OBDepict H 3 C O N N H O N H 2 N N N F F F O OH IC50 = 0.3 nM 594.59 CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccn2)ccc1-c1nc(C23CCC(C(=O)O)(CC2)CC3)n2ccnc(N)c12 Homo sapiens CHEMBL3999900 cell-based format
CHEMBL4215160 OBDepict HO N N O H 2 N N N H F N N IC50 = 0.3 nM 537.6 Nc1cc(-c2cccc(-n3ccc4cc(C5CC5)cc(F)c4c3=O)c2CO)nc(Nc2cnn(CC3CC3)c2)n1 Homo sapiens CHEMBL4182612 single protein format
CHEMBL4878102 OBDepict F N H N O N N O N H N N N CH 3 CH 3 H 3 C N O IC50 = 0.3 nM 573.63 CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4[nH]c(-c5cnn(CCN6CCOCC6)c5)nc34)cc2F)n1 Homo sapiens CHEMBL4822448 single protein format