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P54760 | EPHB4_HUMAN | Ephrin type-B receptor 4 (EPHB4)

3D structures mapped by conservation among orthologs

[ Domain: "Galactose-binding domain-like" // Ephrin_lbd ]

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[ Domain: "SAM domain-like" // SAM_1 ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // fn3 ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL4100979 OBDepict O N H NH O F F NH 2 N N H IC50 = 0.13 nM 447.45 Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(F)c(F)c5)CC4)cc3)c12 Homo sapiens CHEMBL3993541 single protein format
CHEMBL4469077 OBDepict H 3 C N N N N N F IC50 = 0.16 nM 333.37 Cn1cc(-c2ccc(Cn3cc(-c4ccccc4F)nn3)cc2)cn1 Homo sapiens CHEMBL4423710 single protein format
CHEMBL1336 OBDepict CH 3 NH O N O N H NH O Cl F F F IC50 = 0.2 nM 464.83 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 Homo sapiens CHEMBL3993541 single protein format
CHEMBL4459732 OBDepict F N N N N N IC50 = 0.25 nM 331.35 Fc1ccccc1-c1cn(Cc2ccc(-c3cncnc3)cc2)nn1 Homo sapiens CHEMBL4423710 single protein format
CHEMBL4069517 OBDepict S N H HN Br F F F N N NH 2 IC50 = 0.27 nM 518.36 Nc1ncc2ccc(-c3ccc(NC(=S)Nc4cc(Br)cc(C(F)(F)F)c4)cc3)cc2n1 Homo sapiens CHEMBL3993541 single protein format
CHEMBL4456738 OBDepict N N N N N IC50 = 0.32 nM 313.36 c1ccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)cc1 Homo sapiens CHEMBL4423710 single protein format
CHEMBL241682 OBDepict O N H N H F F F F O NH 2 N S O O NH 2 IC50 = 0.4 nM 585.54 Nc1ncc(-c2cccc(S(N)(=O)=O)c2)c2occ(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 Homo sapiens CHEMBL902105 single protein format
CHEMBL4519953 OBDepict CH 3 N N N N IC50 = 0.44 nM 326.4 Cc1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1 Homo sapiens CHEMBL4330410 single protein format
CHEMBL1270280 OBDepict H 3 C N N N N N N H H N N N O O IC50 = 0.9 nM 487.57 CN(c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)c2)n1)c1cccc2[nH]ncc12 Homo sapiens CHEMBL1274251 single protein format
CHEMBL1421 OBDepict HO N N N N N H CH 3 N S N H O H 3 C Cl IC50 < 1.0 nM 488.02 Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1 Homo sapiens CHEMBL1243978 single protein format
CHEMBL496760 OBDepict Cl N H O O N N N H N H S S O O H 2 N O O H 3 C IC50 = 1.0 nM 512.96 CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(S(N)(=O)=O)c1 Homo sapiens CHEMBL1007022 single protein format
CHEMBL4101918 OBDepict O N H HN O O O H 2 N N N H IC50 = 1.26 nM 455.47 Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc6c(c5)OCO6)CC4)cc3)c12 Homo sapiens CHEMBL3993541 single protein format
CHEMBL1269858 OBDepict H 3 C N N N N N N H H N N O O IC50 = 1.3 nM 486.58 CN(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)c1cccc2[nH]ncc12 Homo sapiens CHEMBL1274251 single protein format
CHEMBL4453627 OBDepict CH 3 N N N N N IC50 = 1.49 nM 315.38 Cn1cc(-c2ccc(Cn3cc(-c4ccccc4)nn3)cc2)cn1 Homo sapiens CHEMBL4423710 single protein format
CHEMBL566515 OBDepict H 3 C O N N N H 3 C N OH H 3 C O N O H IC50 = 1.6 nM 417.43 COc1ccccc1-n1c(-c2cc(O)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 Homo sapiens CHEMBL1046768 single protein format
CHEMBL468970 OBDepict Cl N H O O N N NH N N O O IC50 = 2.0 nM 510.98 Clc1ccc2c(c1Nc1ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n1)OCO2 Homo sapiens CHEMBL1007022 single protein format
CHEMBL497198 OBDepict Cl N H O O N N N H N S O O CH 3 O IC50 = 2.0 nM 503.97 CS(=O)(=O)c1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(N2CCOCC2)c1 Homo sapiens CHEMBL1007022 single protein format
CHEMBL523744 OBDepict Cl N H O O N N N H N H N S O O CH 3 O IC50 = 2.0 nM 518.98 CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(N2CCOCC2)c1 Homo sapiens CHEMBL1007022 single protein format
CHEMBL4543212 OBDepict CH 3 N N N N N H 3 C IC50 = 2.13 nM 329.41 Cc1ccc(-c2cn(Cc3ccc(-c4cnn(C)c4)cc3)nn2)cc1 Homo sapiens CHEMBL4423710 single protein format
CHEMBL4525897 OBDepict H 3 C N N N N N F F F IC50 = 2.21 nM 383.38 Cn1cc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1 Homo sapiens CHEMBL4423710 single protein format
CHEMBL1270378 OBDepict H 3 C N N N N N N H H N N N N O O IC50 = 2.6 nM 488.56 CN(c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)n1)c1cccc2[nH]ncc12 Homo sapiens CHEMBL1274251 single protein format
CHEMBL4441465 OBDepict CH 3 O N N N N H 2 N IC50 = 2.99 nM 357.42 COc1ccc(-c2ccc(Cn3cc(-c4cccc(N)c4)nn3)cc2)cn1 Homo sapiens CHEMBL4330410 single protein format
CHEMBL4452405 OBDepict CH 3 N N N N N IC50 = 3.3 nM 327.39 Cc1ccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)cc1 Homo sapiens CHEMBL4423710 single protein format
CHEMBL4071731 OBDepict O N H NH O Br O NH 2 N N F F F H IC50 = 3.6 nM 574.36 Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(OC(F)(F)F)cc5Br)CC4)cc3)c12 Homo sapiens CHEMBL3993541 single protein format
CHEMBL4171543 OBDepict CH 2 HN O N N H N H O Cl IC50 = 3.87 nM 392.85 C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cn1 Homo sapiens CHEMBL4135861 single protein format
CHEMBL4104599 OBDepict Br O N H F F F O N H O H 2 N N N H IC50 = 4.53 nM 574.36 Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(Br)cc5OC(F)(F)F)CC4)cc3)c12 Homo sapiens CHEMBL3993541 single protein format
CHEMBL4160854 OBDepict S N H HN O Br F F F H 2 N N N H IC50 = 4.71 nM 522.35 Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(Br)ccc4OC(F)(F)F)cc3)c12 Homo sapiens CHEMBL4140582 single protein format
CHEMBL3787112 OBDepict HO N H 2 N N N H H N IC50 = 5.0 nM 349.44 Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1C[C@@H](CN2CCC2)C1 Homo sapiens CHEMBL3789402 single protein format
CHEMBL3321809 OBDepict OH N H 3 C N NH 2 N O NH 2 IC50 = 5.4 nM 333.35 Cc1ccc(O)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21 Homo sapiens CHEMBL3361798 assay format
CHEMBL288441 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl N CH 3 IC50 = 5.5 nM 530.46 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL1244334 single protein format
CHEMBL1762529 OBDepict HO O N CH 3 CH 3 N N N H N N O O IC50 = 7.0 nM 506.61 COc1cc(CO)cc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1738764 OBDepict HO N CH 3 N H 3 C CH 3 N NH N S O O H 3 C O IC50 = 7.0 nM 511.65 Cc1ccc(CO)cc1N(c1ccnc(Nc2cc(N3CCOCC3)cc(S(C)(=O)=O)c2)n1)C(C)C Homo sapiens CHEMBL1764819 cell-based format
CHEMBL4165320 OBDepict CH 2 N H O N N H N H O Cl F F F IC50 = 7.23 nM 460.84 C=CC(=O)Nc1cccc(-c2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1 Homo sapiens CHEMBL4140582 single protein format
CHEMBL256101 OBDepict Cl Cl CH 3 N N N N H O + N _ O Ki = 7.27 nM 510.43 Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12 Homo sapiens CHEMBL922442 single protein format
CHEMBL4160813 OBDepict CH 2 N H O N N H N H O Cl H 3 C IC50 = 7.68 nM 406.87 C=CC(=O)Nc1cccc(-c2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)n1 Homo sapiens CHEMBL4140582 single protein format
CHEMBL1762550 OBDepict HO N CH 3 CH 3 N N N H N N N O O IC50 = 8.0 nM 491.6 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL4086694 OBDepict Br N H F F F O N H O NH 2 N N H IC50 = 9.22 nM 558.36 Nc1n[nH]c2cccc(-c3ccc(NC(=O)C4(C(=O)Nc5cc(Br)cc(C(F)(F)F)c5)CC4)cc3)c12 Homo sapiens CHEMBL3993541 single protein format
CHEMBL1762525 OBDepict CH 3 O N CH 3 N N HN N N O O IC50 = 10.0 nM 476.58 COc1cccc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1762546 OBDepict HO N CH 3 CH 3 N N NH N S O O H 3 C O IC50 = 11.0 nM 483.59 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(S(C)(=O)=O)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1271187 OBDepict H N N NH N N N H N N O O IC50 = 11.0 nM 472.55 c1cc(Nc2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c2cn[nH]c2c1 Homo sapiens CHEMBL1274251 single protein format
CHEMBL1762537 OBDepict HO N CH 3 CH 3 N N N H N N O IC50 = 11.0 nM 488.64 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCCCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1762524 OBDepict Cl N CH 3 N N N H N N O O IC50 = 12.0 nM 481.0 CN(c1cccc(Cl)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1762530 OBDepict HO N CH 3 CH 3 N N N H N N O O IC50 = 12.0 nM 490.61 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1762549 OBDepict CH 3 O N N CH 3 N N H HO N N O O IC50 = 12.0 nM 534.66 COCCN(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)c1cc(CO)ccc1C Homo sapiens CHEMBL1764819 cell-based format
CHEMBL523088 OBDepict Cl N H O O N N N H N H S S O O H 3 C O O H 3 C IC50 = 12.0 nM 511.97 CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(S(C)(=O)=O)c1 Homo sapiens CHEMBL1007022 single protein format
CHEMBL4168788 OBDepict S N H HN Br O F F F H 2 N N N H IC50 = 12.1 nM 522.35 Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4cc(OC(F)(F)F)ccc4Br)cc3)c12 Homo sapiens CHEMBL4140582 single protein format
CHEMBL517720 OBDepict NH 2 O N H N N N O NH Cl O O IC50 = 13.0 nM 468.9 NC(=O)c1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(N2CCOCC2)c1 Homo sapiens CHEMBL1007022 single protein format
CHEMBL1762531 OBDepict OH Cl N CH 3 N N N H N N O O IC50 = 13.0 nM 511.03 CN(c1ccc(Cl)c(CO)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1270182 OBDepict H 3 C N N N N N N H H N H S O O CH 3 IC50 = 13.0 nM 409.48 CN(c1ccnc(Nc2cccc(NS(C)(=O)=O)c2)n1)c1cccc2[nH]ncc12 Homo sapiens CHEMBL1274251 single protein format
CHEMBL1762548 OBDepict HO N CH 3 N H 3 C CH 3 N NH N N O O IC50 = 13.0 nM 518.66 Cc1ccc(CO)cc1N(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)C(C)C Homo sapiens CHEMBL1764819 cell-based format
CHEMBL241681 OBDepict O N H N H F F F F O NH 2 N IC50 = 14.0 nM 506.46 Nc1ncc(-c2ccccc2)c2occ(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12 Homo sapiens CHEMBL902105 single protein format
CHEMBL2333602 OBDepict H 3 C N N N CH 3 N CH 3 O N O H N N H IC50 = 14.0 nM 467.53 CCCCn1c(-c2cc(-c3cccc4[nH]ncc34)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 Homo sapiens CHEMBL2344645 cell-based format
CHEMBL1762547 OBDepict CH 3 N N CH 3 N N H HO N N O O IC50 = 14.0 nM 504.64 CCN(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)c1cc(CO)ccc1C Homo sapiens CHEMBL1764819 cell-based format
CHEMBL3321812 OBDepict H 3 C N N H N NH 2 N O O NH 2 F F F IC50 = 14.0 nM 504.47 Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21 Homo sapiens CHEMBL3361798 assay format
CHEMBL3321813 OBDepict F N NH N H 2 N N O O H 2 N F F F IC50 = 15.0 nM 508.44 NC(=O)c1c(N)n(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2F)c2nc3ccccc3nc12 Homo sapiens CHEMBL3361798 assay format
CHEMBL496968 OBDepict Cl N H O O N N N H N H NH S S O O CH 3 O O CH 3 IC50 = 15.0 nM 526.98 CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(NS(C)(=O)=O)c1 Homo sapiens CHEMBL1007022 single protein format
CHEMBL4174374 OBDepict CH 2 N H O N N H N H O F IC50 = 15.34 nM 376.39 C=CC(=O)Nc1cccc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)n1 Homo sapiens CHEMBL4140582 single protein format
CHEMBL4167759 OBDepict S N H HN F F H 2 N N N H IC50 = 15.46 nM 395.44 Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(F)c(F)c4)cc3)c12 Homo sapiens CHEMBL4140582 single protein format
CHEMBL400402 OBDepict OH Cl H 3 C N N N N H O N IC50 = 15.9 nM 475.98 Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL3707878 single protein format
CHEMBL4575350 OBDepict H N N N N N F F F IC50 = 16.0 nM 369.35 FC(F)(F)c1ccc(-c2cn(Cc3ccc(-c4cn[nH]c4)cc3)nn2)cc1 Homo sapiens CHEMBL4423710 single protein format
CHEMBL1242285 OBDepict HO Br N N H 2 N N N CH 3 H 3 C IC50 = 17.0 nM 348.2 CC(C)n1nc(-c2cc(O)cc(Br)c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243978 single protein format
CHEMBL4175943 OBDepict S N H HN Cl Cl H 2 N N N H IC50 = 17.48 nM 428.35 Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)c(Cl)c4)cc3)c12 Homo sapiens CHEMBL4140582 single protein format
CHEMBL1241676 OBDepict Cl HO N N H 2 N N N IC50 = 18.0 nM 329.79 Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCCC1 Homo sapiens CHEMBL1243978 single protein format
CHEMBL3321816 OBDepict O NH N H 2 N N F F F N O H 2 N IC50 = 20.0 nM 490.45 NC(=O)c1c(N)n(-c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c2nc3ccccc3nc12 Homo sapiens CHEMBL3361798 assay format
CHEMBL3321811 OBDepict O HN F F F N H 2 N N N O H 2 N IC50 = 20.0 nM 490.45 NC(=O)c1c(N)n(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c2nc3ccccc3nc12 Homo sapiens CHEMBL3361798 assay format
CHEMBL241517 OBDepict Cl F S NH 2 N S O O NH 2 IC50 = 21.0 nM 433.92 Nc1ncc(-c2cccc(S(N)(=O)=O)c2)c2scc(-c3ccc(F)c(Cl)c3)c12 Homo sapiens CHEMBL902105 single protein format
CHEMBL3321817 OBDepict O N H N CH 3 N NH 2 F F F N O NH 2 IC50 = 21.0 nM 504.47 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-n1c(N)c(C(N)=O)c2nc3ccccc3nc21 Homo sapiens CHEMBL3361798 assay format
CHEMBL1269964 OBDepict HO N H N N N CH 3 N N H IC50 = 21.0 nM 346.39 CN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12 Homo sapiens CHEMBL1274251 single protein format
CHEMBL1762527 OBDepict H 3 C O N CH 3 CH 3 N N N H N N O O IC50 = 21.0 nM 490.61 COc1ccc(C)c(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL4175949 OBDepict S N H HN Cl Cl H 2 N N N H IC50 = 21.35 nM 428.35 Nc1n[nH]c2cccc(-c3ccc(NC(=S)Nc4ccc(Cl)cc4Cl)cc3)c12 Homo sapiens CHEMBL4140582 single protein format
CHEMBL1762543 OBDepict HO N CH 3 CH 3 N N NH O N O O IC50 = 23.0 nM 505.62 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(OC3CCOCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL497195 OBDepict NH 2 O N H S O O CH 3 N N HN Cl O O IC50 = 23.0 nM 461.89 CS(=O)(=O)c1cc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc(C(N)=O)c1 Homo sapiens CHEMBL1007022 single protein format
CHEMBL4175773 OBDepict CH 2 NH O N N H N H O CH 3 H 3 C IC50 = 23.55 nM 400.48 C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cccc(C(C)C)c3)cc2)cn1 Homo sapiens CHEMBL4135861 single protein format
CHEMBL3321818 OBDepict O NH N F N H 2 N F F F N O H 2 N IC50 = 24.0 nM 508.44 NC(=O)c1c(N)n(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2F)c2nc3ccccc3nc12 Homo sapiens CHEMBL3361798 assay format
CHEMBL4167913 OBDepict CH 2 NH O N N H N H O H 3 C CH 3 H 3 C IC50 = 24.92 nM 414.51 C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(C(C)(C)C)cc3)cc2)cn1 Homo sapiens CHEMBL4135861 single protein format
CHEMBL1762541 OBDepict HO N CH 3 CH 3 N N NH N N O O IC50 = 25.0 nM 504.64 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(CN3CCOCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL385956 OBDepict O N H N H CH 3 N F F F N N IC50 < 25.0 nM 449.44 Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1 Homo sapiens CHEMBL908515 single protein format
CHEMBL1080639 OBDepict H 3 C O NH Br N H O N N NH N N IC50 = 26.0 nM 544.41 COc1ccc(Br)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1 Homo sapiens CHEMBL1109419 single protein format
CHEMBL4162947 OBDepict NH 2 N N N H O N H O Br O F F F IC50 = 26.43 nM 586.37 Nc1ncc2ccc(-c3ccc(NC(=O)C4(C(=O)Nc5cc(OC(F)(F)F)ccc5Br)CC4)cc3)cc2n1 Homo sapiens CHEMBL4135861 single protein format
CHEMBL1762536 OBDepict OH N CH 3 H 3 C N N N H N N O IC50 = 27.0 nM 474.61 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1762534 OBDepict CH 3 O N N CH 3 N N HN N N O O IC50 = 28.0 nM 477.57 COc1cccc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1762538 OBDepict HO N CH 3 CH 3 N N NH N N O O IC50 = 28.0 nM 504.64 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCCOCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1762523 OBDepict CH 3 N CH 3 N N HN N N O O IC50 = 28.0 nM 460.58 Cc1cccc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1762522 OBDepict CH 3 N CH 3 N N HN N N O O IC50 = 28.0 nM 460.58 Cc1ccccc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL4553163 OBDepict CH 3 N N N N N IC50 = 28.62 nM 327.39 Cc1cccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)c1 Homo sapiens CHEMBL4423710 single protein format
CHEMBL4452256 OBDepict CH 3 O N N N N Cl IC50 = 28.68 nM 376.85 COc1ccc(-c2ccc(Cn3cc(-c4cccc(Cl)c4)nn3)cc2)cn1 Homo sapiens CHEMBL4330410 single protein format
CHEMBL1270075 OBDepict CH 3 N CH 3 O N H N N N CH 3 N N H IC50 = 29.0 nM 387.45 CN(C)C(=O)c1cccc(Nc2nccc(N(C)c3cccc4[nH]ncc34)n2)c1 Homo sapiens CHEMBL1274251 single protein format
CHEMBL4168590 OBDepict CH 2 NH O N N H N H O Cl H 3 C IC50 = 29.28 nM 406.87 C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(C)c(Cl)c3)cc2)cn1 Homo sapiens CHEMBL4135861 single protein format
CHEMBL488840 OBDepict H 3 C H 3 C N N N N HN P O CH 3 CH 3 IC50 = 30.0 nM 417.45 Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21 Homo sapiens CHEMBL976281 single protein format
CHEMBL1762535 OBDepict CH 3 O N N CH 3 N N HN N N O O IC50 = 30.0 nM 477.57 COc1cncc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL249821 OBDepict HO Cl CH 3 N N N N H S HN O O N IC50 = 30.8 nM 539.06 Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 Homo sapiens CHEMBL3707878 single protein format
CHEMBL1762539 OBDepict HO N CH 3 CH 3 N N N H N N O N H 3 C IC50 = 32.0 nM 503.65 Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCN(C)CC3)c2)n1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1762545 OBDepict H 3 C O N H N N N O N H 3 C CH 3 HO IC50 = 32.0 nM 435.53 COc1cc(Nc2nccc(N(C)c3cc(CO)ccc3C)n2)cc(N2CCOCC2)c1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1270569 OBDepict H 3 C S O O NH N N N H O O IC50 = 34.0 nM 384.42 CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4c3OCO4)n2)c1 Homo sapiens CHEMBL1274251 single protein format
CHEMBL1762544 OBDepict H 3 C O O NH N N N O N CH 3 H 3 C OH IC50 = 35.0 nM 479.58 COCCOc1cc(Nc2nccc(N(C)c3cc(CO)ccc3C)n2)cc(N2CCOCC2)c1 Homo sapiens CHEMBL1764819 cell-based format
CHEMBL1271394 OBDepict H 3 C N N N N N N H H S O O H 3 C IC50 = 36.0 nM 394.46 CN(c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1)c1cccc2[nH]ncc12 Homo sapiens CHEMBL1274251 single protein format
CHEMBL1270976 OBDepict Cl N H 3 C O O N N NH S O O CH 3 IC50 = 36.0 nM 432.89 CN(c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1)c1c(Cl)ccc2c1OCO2 Homo sapiens CHEMBL1274251 single protein format
CHEMBL1079846 OBDepict H 3 C O NH N H O F F F N N NH N N IC50 = 37.0 nM 533.51 COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1 Homo sapiens CHEMBL1109419 single protein format
CHEMBL1079448 OBDepict O N H HN HO F F F N N N H N N IC50 = 37.0 nM 519.49 O=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1cc(C(F)(F)F)ccc1O Homo sapiens CHEMBL1109419 single protein format
CHEMBL4166401 OBDepict NH 2 N N N H O NH O F F IC50 = 37.78 nM 459.46 Nc1ncc2ccc(-c3ccc(NC(=O)C4(C(=O)Nc5ccc(F)c(F)c5)CC4)cc3)cc2n1 Homo sapiens CHEMBL4135861 single protein format