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O14965 | AURKA_HUMAN | Aurora kinase A (AURKA)

3D structures mapped by conservation among orthologs

[ 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
CHEMBL3685304 OBDepict O NH OH F N H H 3 C H N N O H 2 N IC50 = 0.01 nM 445.45 C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL4462759 OBDepict CH 3 O O N Cl N N H N N N H N IC50 = 0.012 nM 395.81 COc1ccc(Oc2nc(Nc3ccc(-c4nnn[nH]4)cc3)ncc2Cl)cc1 Homo sapiens CHEMBL4365307 single protein format
CHEMBL4476212 OBDepict F O N Cl N N H N N N H N IC50 = 0.012 nM 383.77 Fc1ccc(Oc2nc(Nc3ccc(-c4nnn[nH]4)cc3)ncc2Cl)cc1 Homo sapiens CHEMBL4365307 single protein format
CHEMBL4443279 OBDepict Cl N N O N H F N N N H N IC50 = 0.012 nM 383.77 Fc1ccccc1Oc1nc(Nc2ccc(-c3nnn[nH]3)cc2)ncc1Cl Homo sapiens CHEMBL4365307 single protein format
CHEMBL3675462 OBDepict O NH N H N H 3 C H 3 C CH 3 N H H 3 C H N N O NH 2 IC50 = 0.03 nM 457.54 C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(C)(C)C)n[nH]2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675439 OBDepict O N H N H N CH 3 H 3 C NH H 3 C H N N O H 2 N IC50 = 0.03 nM 443.51 CC(C)c1cc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680540 OBDepict O NH F F N H H 3 C H N N O NH 2 IC50 = 0.04 nM 411.41 C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC2(F)F)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680479 OBDepict H 3 C O N H N N H N O O H 2 N O F F F IC50 = 0.05 nM 539.51 COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675508 OBDepict CH 3 O N H N N H N O O NH 2 Br IC50 = 0.05 nM 534.41 COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685244 OBDepict CH 3 O O O NH 2 N N NH N H O O H 3 C IC50 = 0.06 nM 501.54 COCCOc1cc(C(N)=O)c2ncnc(NCc3cccc(NC(=O)c4ccc(OC)cc4)c3)c2c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3639841 OBDepict O N H O O F F N H N N O H 2 N IC50 = 0.06 nM 477.43 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5c(c4)OC(F)(F)O5)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680420 OBDepict H 3 C NH N NH N O N O H 2 N H N CH 3 H 3 C IC50 = 0.06 nM 443.51 CC(C)c1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3600873 OBDepict OH O N H O N H F N S Cl IC50 = 0.064 nM 461.95 O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1 Homo sapiens CHEMBL3813578 single protein format
CHEMBL3915221 OBDepict OH O N H O N H Cl N S Cl ClH IC50 = 0.07 nM 514.86 Cl.O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2Cl)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3675437 OBDepict CH 3 O N N H O NH H 3 C H N N O H 2 N IC50 = 0.07 nM 442.48 COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3951333 OBDepict OH O N H O N H F N S Cl ClH IC50 = 0.07 nM 498.41 Cl.O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3675509 OBDepict O NH N F F F N H H 3 C H N N O H 2 N IC50 = 0.07 nM 480.45 C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685256 OBDepict O N H N N H O N N O NH 2 IC50 = 0.08 nM 484.56 NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CCC(N5CCOCC5)C=C4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675537 OBDepict N N HN N H CH 3 H N N O NH 2 IC50 = 0.08 nM 409.45 C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2cc(C#N)ccn2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685262 OBDepict Cl NH O NH N N O NH 2 IC50 = 0.08 nM 431.88 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675465 OBDepict H 3 C NH N NH N O N O NH 2 H N CH 3 H 3 C CH 3 IC50 = 0.08 nM 457.54 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(C)(C)C)n[nH]2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685272 OBDepict O N H Cl F F F N H N N O NH 2 IC50 = 0.08 nM 499.88 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685305 OBDepict Cl F F HN O HN N N O NH 2 IC50 = 0.08 nM 467.86 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cc(Cl)cc4F)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680477 OBDepict CH 3 O N CH 3 N N H O NH N N O H 2 N IC50 = 0.09 nM 485.55 COCCN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3892660 OBDepict Br N N H N S O OH H O F Cl ClH IC50 = 0.09 nM 577.3 Cl.O=C(O)[C@]1(Cc2cc(Br)cc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3675443 OBDepict F CH 3 NH O NH H 3 C N N O H 2 N IC50 = 0.09 nM 445.5 CC1CC=C(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)C=C1F Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675524 OBDepict HO N H N N H N O O NH 2 O H 3 C IC50 = 0.09 nM 471.52 COc1ccc(C(=O)Nc2cccc(C(CCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL205877 OBDepict CH 3 O O N N H N N N N NH O O Cl IC50 < 0.1 nM 550.02 COc1cc2c(Nc3cnc(NC(=O)c4cccc(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL859289 single protein format
CHEMBL3675484 OBDepict CH 3 O N N H O NH H 3 C N N O H 2 N IC50 = 0.1 nM 442.48 COc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685241 OBDepict O N H CH 3 N H N N O NH 2 IC50 = 0.1 nM 411.47 Cc1ccccc1C(=O)Nc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680541 OBDepict OH N H N NH N OH N O NH 2 H N IC50 = 0.1 nM 473.54 NC(=O)c1cccc2c(NC(CCO)c3cccc(NC(O)c4cc(C5CC5)n[nH]4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685250 OBDepict O N H N F F F N H N N O H 2 N IC50 = 0.11 nM 466.42 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)nc4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3923139 OBDepict HO O N H O N H F N S F F F ClH IC50 = 0.11 nM 531.96 Cl.O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(C(F)(F)F)c2F)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3675457 OBDepict O NH F F F F N H H 3 C H N N O H 2 N IC50 = 0.11 nM 497.45 C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2F)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3670470 OBDepict CH 3 N CH 3 NH O NH N N O H 2 N IC50 = 0.11 nM 440.51 CN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685306 OBDepict CH 3 O F F N H O HN N N O NH 2 IC50 = 0.11 nM 463.44 COc1cc(F)c(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c(F)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3977678 OBDepict Cl O H O HO N N H N S ClH IC50 = 0.12 nM 480.42 Cl.O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(Cl)c2)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3680532 OBDepict CH 3 O F F F N H O HN N N O NH 2 IC50 = 0.12 nM 495.46 COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1C(F)(F)F Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680488 OBDepict O NH N H H 3 C H N N O NH 2 IC50 = 0.12 nM 403.49 C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CCCC2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685307 OBDepict CH 3 O N H O HN N N HO O NH 2 IC50 = 0.12 nM 443.46 COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(O)cc34)c2)cc1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3967012 OBDepict H N N N H N O N N H O S H F Cl IC50 = 0.12 nM 500.99 Fc1c(Cl)cccc1O[C@H]1CC[C@](Cc2cccc(Nc3cc[nH]n3)n2)(c2n[nH]c(=S)o2)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3675459 OBDepict CH 3 N H 3 C N H N N H N O O NH 2 Br IC50 = 0.12 nM 547.46 CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675446 OBDepict Cl Cl HN O HN N N O NH 2 IC50 = 0.12 nM 466.33 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3897985 OBDepict OH O N H O N H F N S F ClH IC50 = 0.12 nM 481.95 Cl.O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(F)c2F)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3680402 OBDepict CH 3 O F HN O F N H H 3 C H N O NH 2 IC50 = 0.12 nM 476.48 COc1ccc(C(=O)Nc2cc([C@@H](C)Nc3nccc4c(C(N)=O)cccc34)ccc2F)cc1F Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685245 OBDepict O N H F F F F N H N N O H 2 N IC50 = 0.12 nM 483.43 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685237 OBDepict O N H N H N CH 3 H 3 C N H N N O H 2 N IC50 = 0.12 nM 429.48 CC(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680460 OBDepict CH 3 O F N H O NH H 3 C H N N O H 2 N IC50 = 0.13 nM 459.48 COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F Homo sapiens CHEMBL3706327 single protein format
CHEMBL3899823 OBDepict OH O F F F H N N NH N O OH H S Cl Cl IC50 = 0.13 nM 591.44 O=C(O)C(F)(F)F.O=C(O)[C@]1(Cc2cccc(Nc3cc[nH]n3)n2)CC[C@@H](Sc2cccc(Cl)c2Cl)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3685247 OBDepict CH 3 O N H O N H N N O NH 2 IC50 = 0.13 nM 441.49 CCOc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL4440617 OBDepict OH N H N + N N HN O _ O N H O CH 3 CH 3 N CH 3 H 3 C . O IC50 = 0.14 nM 520.57 CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4cccc(O)c4)n3)cc2)CC(C)(C)N1[O] Homo sapiens CHEMBL4311508 single protein format
CHEMBL3675532 OBDepict CH 3 NH N N H O N H N N O H 2 N IC50 = 0.15 nM 427.47 CNc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3929632 OBDepict OH O F F F H N N NH N O OH H O F Cl IC50 = 0.15 nM 558.92 O=C(O)C(F)(F)F.O=C(O)[C@]1(Cc2cccc(Nc3cc[nH]n3)n2)CC[C@@H](Oc2cccc(Cl)c2F)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3680542 OBDepict NH 2 O N N N H N H N IC50 = 0.15 nM 370.42 NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680543 OBDepict NH 2 O N N HN N H N F F F IC50 = 0.15 nM 438.41 NC(=O)c1cccc2c(NCc3cccc(Nc4cc(C(F)(F)F)ccn4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL382667 OBDepict H 3 C O O N N H N N N N HN O O Cl F IC50 = 0.15 nM 568.01 COc1cc2c(Nc3cnc(NC(=O)c4ccc(F)c(Cl)c4)nc3)ncnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL859289 single protein format
CHEMBL3680545 OBDepict HO N H N N H N O O H 2 N O CH 3 IC50 = 0.16 nM 485.54 COc1ccc(C(=O)Nc2cccc(C(CCCO)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3966740 OBDepict OH O F F F H N N NH N O OH H O F F F F IC50 = 0.16 nM 592.47 O=C(O)C(F)(F)F.O=C(O)[C@]1(Cc2cccc(Nc3cc[nH]n3)n2)CC[C@@H](Oc2cccc(C(F)(F)F)c2F)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3685248 OBDepict O N H N H N N O H 2 N IC50 = 0.16 nM 403.49 NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4CCCCC4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675441 OBDepict F F HN O HN N N O NH 2 IC50 = 0.16 nM 433.42 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675516 OBDepict H 2 C N H 3 C N H N N H N O O H 2 N O CH 3 IC50 = 0.16 nM 524.63 C=CCN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680544 OBDepict H 3 C O O S N N H N H N N O H 2 N IC50 = 0.16 nM 448.51 CCOC(=O)c1cnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)s1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675525 OBDepict OH N H F F F F N H N N O H 2 N IC50 = 0.17 nM 485.44 NC(=O)c1cccc2c(NCc3cccc(NC(O)c4cc(C(F)(F)F)ccc4F)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675403 OBDepict CH 3 HN N H N NH N O O NH 2 Br IC50 = 0.17 nM 519.4 CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3930205 OBDepict HO O N H O N H N S F F F ClH IC50 = 0.17 nM 513.97 Cl.O=C(O)[C@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](Oc2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3680546 OBDepict O NH N H HN N N O NH 2 IC50 = 0.17 nM 436.48 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5cc[nH]c5c4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675425 OBDepict H 3 C N H NH N NH N O O H 2 N O F F F IC50 = 0.17 nM 526.52 CNCC(Nc1ccccc(C(N)=O)cncn1)c1cccc(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685252 OBDepict Cl HN O N H N N O NH 2 IC50 = 0.17 nM 431.88 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)c4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685243 OBDepict CH 3 HN O N H N N O NH 2 IC50 = 0.17 nM 411.47 Cc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685255 OBDepict CH 3 N CH 3 N H N N H N O O NH 2 IC50 = 0.18 nM 468.56 CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685308 OBDepict O N H F F F N H N N O NH 2 IC50 = 0.18 nM 467.45 NC(=O)C1=c2ncnc(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)c2=CCC1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675324 OBDepict NH 2 O N O N N H N F F F IC50 = 0.18 nM 487.53 NC(=O)c1cc(OCCCN2CCCCC2)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675480 OBDepict H 3 C O N H N N H N O O H 2 N F F F IC50 = 0.18 nM 523.52 COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680547 OBDepict O NH F F N H CH 3 N N O NH 2 IC50 = 0.18 nM 411.41 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC2(F)F)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL4451940 OBDepict . O N CH 3 H 3 C H 3 C H 3 C N H O N H N N NH F Cl IC50 = 0.18 nM 512.01 CC1(C)CC(NC(=O)c2ccc(Nc3ncc(F)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1[O] Homo sapiens CHEMBL4311508 single protein format
CHEMBL3685284 OBDepict O HN F O N H CH 3 H F F F N N O NH 2 IC50 = 0.18 nM 513.45 C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC(F)(F)F)c(F)c2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680428 OBDepict H 3 C O N H N N H N O O H 2 N F O CH 3 IC50 = 0.18 nM 503.53 COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2F)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680549 OBDepict O HN N H 2 N N H HN N N O NH 2 IC50 = 0.19 nM 402.42 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cn[nH]c4N)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL4455202 OBDepict . O N CH 3 H 3 C H 3 C H 3 C N H O N H N N NH Cl Cl IC50 = 0.19 nM 528.46 CC1(C)CC(NC(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1[O] Homo sapiens CHEMBL4311508 single protein format
CHEMBL3914249 OBDepict H N N N H N N O N N H O O H F Cl IC50 = 0.19 nM 485.91 O=c1[nH]nc([C@]2(Cc3cncc(Nc4cc[nH]n4)n3)CC[C@@H](Oc3cccc(Cl)c3F)CC2)o1 Homo sapiens CHEMBL3882306 cell-based format
CHEMBL3680548 OBDepict H 2 N O N N HN N H N S IC50 = 0.19 nM 376.45 NC(=O)c1cccc2c(NCc3cccc(Nc4nccs4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685246 OBDepict OH O NH 2 N N NH NH O O H 3 C IC50 = 0.2 nM 499.57 COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(CCCCO)cc34)c2)cc1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675491 OBDepict CH 3 N H N N H N O O NH 2 F Cl IC50 = 0.2 nM 463.9 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Cl)c(F)c2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680429 OBDepict CH 3 O CH 3 N OH HN N N O NH 2 IC50 = 0.2 nM 445.52 COc1ccc(C(O)/N=C2C=CCC(CNc3ncnc4c(C(N)=O)cccc34)C2)cc1C Homo sapiens CHEMBL3706327 single protein format
CHEMBL2170419 OBDepict F N N N H HN Cl O OH IC50 = 0.2 nM 358.76 O=C(O)c1ccc(Nc2ncc(F)c(Nc3ccccc3Cl)n2)cc1 Homo sapiens CHEMBL2174324 single protein format
CHEMBL3675500 OBDepict H 3 C NH N NH N O N O NH 2 H N F F IC50 = 0.2 nM 451.44 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cc(C(F)F)n[nH]2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675538 OBDepict CH 3 O N H N N H N O O NH 2 F F IC50 = 0.2 nM 491.5 COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680550 OBDepict CH 3 O N H H N N H N O O NH 2 O CH 3 IC50 = 0.21 nM 485.54 COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675474 OBDepict CH 3 N H N N H N O O NH 2 F Br IC50 = 0.21 nM 508.35 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675483 OBDepict CH 3 N H N HN N O O NH 2 N F F F IC50 = 0.21 nM 480.45 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680552 OBDepict N N NH N H N N O NH 2 IC50 = 0.22 nM 395.43 N#Cc1ccnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680553 OBDepict CH 3 O N H OH F HN N N O NH 2 IC50 = 0.22 nM 447.47 COc1ccc(C(O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2F)cc1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685309 OBDepict O N H F F F N H N N O NH 2 IC50 = 0.22 nM 465.44 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680495 OBDepict CH 3 H 3 C NH N N H O N H N N O H 2 N IC50 = 0.22 nM 469.55 CC(C)CNc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680455 OBDepict O NH N H N F F F N H N N O H 2 N IC50 = 0.22 nM 455.4 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C(F)(F)F)n[nH]4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685242 OBDepict H 2 N O N N HN HN O N CH 3 CH 3 IC50 = 0.22 nM 442.52 CN(C)c1cccc(C(=O)Nc2cccc(CNc3ncnc4c3=CCCC=4C(N)=O)c2)c1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680551 OBDepict NH 2 S N N H HN N N O NH 2 IC50 = 0.22 nM 405.49 NCc1cnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)s1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3675463 OBDepict CH 3 O N N H O NH H 3 C H N N O H 2 N IC50 = 0.22 nM 442.48 COc1cc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)ccn1 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3685287 OBDepict F N H O N H N O N F F F O H 2 N IC50 = 0.22 nM 499.42 NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)ncnc12 Homo sapiens CHEMBL3706327 single protein format
CHEMBL3680489 OBDepict H 3 C O O N N H O NH H 3 C H N N O H 2 N IC50 = 0.23 nM 486.53 CCOC(=O)c1ccc(C(=O)NC2=CCCC([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)=C2)cn1 Homo sapiens CHEMBL3706327 single protein format