HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q96GD4 | AURKB_HUMAN | Aurora kinase B (AURKB)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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
CHEMBL3680444 OBDepict CH 3 O N N H O HN N N O NH 2 IC50 = 0.042 nM 428.45 COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680508 OBDepict O N H N H N F F F NH N N O H 2 N IC50 = 0.045 nM 455.4 NC(=O)c1cccc2c(NCc3ccc(NC(=O)c4cc(C(F)(F)F)n[nH]4)cc3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680447 OBDepict H 3 C N CH 3 N H O NH H 3 C N N O H 2 N IC50 = 0.046 nM 482.59 CCN(CC)c1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680552 OBDepict N N NH N H N N O NH 2 IC50 = 0.06 nM 395.43 N#Cc1ccnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685243 OBDepict CH 3 HN O N H N N O NH 2 IC50 = 0.061 nM 411.47 Cc1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685277 OBDepict O NH N H N NH N N O H 2 N IC50 = 0.089 nM 427.47 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C5CC5)n[nH]4)c3)ncnc12 Homo sapiens CHEMBL3707758 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 CHEMBL3707758 single protein format
CHEMBL3680596 OBDepict N N N H HN N N O NH 2 IC50 = 0.18 nM 409.45 N#CCc1ccnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685262 OBDepict Cl NH O NH N N O NH 2 IC50 = 0.18 nM 431.88 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL1940103 OBDepict CH 3 O O CH 3 N N H N N N N H O F IC50 < 0.2 nM 422.42 COc1cc2ncnc(Nc3cnn(CC(=O)Nc4cccc(F)c4)c3)c2cc1OC Homo sapiens CHEMBL1942923 single protein format
CHEMBL3639841 OBDepict O N H O O F F N H N N O H 2 N IC50 = 0.2 nM 477.43 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5c(c4)OC(F)(F)O5)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685245 OBDepict O N H F F F F N H N N O H 2 N IC50 = 0.21 nM 483.43 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685306 OBDepict CH 3 O F F N H O HN N N O NH 2 IC50 = 0.22 nM 463.44 COc1cc(F)c(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c(F)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3670499 OBDepict OH O NH 2 N N HN F F F IC50 = 0.24 nM 362.31 NC(=O)c1cc(O)cc2c(NCc3ccc(C(F)(F)F)cc3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3675441 OBDepict F F HN O HN N N O NH 2 IC50 = 0.25 nM 433.42 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680500 OBDepict CH 3 N H N N H O HN N N O NH 2 IC50 = 0.26 nM 427.47 CNc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1 Homo sapiens CHEMBL3707758 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 = 0.27 nM 443.51 CC(C)c1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1 Homo sapiens CHEMBL3707758 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 = 0.29 nM 528.46 CC1(C)CC(NC(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4Cl)n3)cc2)CC(C)(C)N1[O] Homo sapiens CHEMBL4311509 single protein format
CHEMBL3680403 OBDepict O N H Cl Cl N H N N O H 2 N IC50 = 0.3 nM 466.33 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680554 OBDepict O NH N H N N H N N O H 2 N IC50 = 0.3 nM 441.5 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4[nH]nc5c4CCCC5)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685257 OBDepict CH 3 O O H 3 C N H O HN N N O NH 2 IC50 = 0.31 nM 457.49 COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1OC Homo sapiens CHEMBL3707758 single protein format
CHEMBL4799738 OBDepict O N H HN F N H N N N N CH 3 IC50 = 0.316 nM 453.48 Cn1cc(-c2ccc3c(Nc4cccc(NC(=O)Nc5cccc(F)c5)c4)ncnc3c2)cn1 Homo sapiens CHEMBL4773000 assay format
CHEMBL3675501 OBDepict CH 3 N NH O NH H 3 C N N O H 2 N IC50 = 0.32 nM 426.48 Cc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1 Homo sapiens CHEMBL3707758 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 = 0.33 nM 429.48 CC(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL4784002 OBDepict O HN N H F N H N N N N CH 3 IC50 = 0.336 nM 453.48 Cn1cc(-c2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)cn1 Homo sapiens CHEMBL4773000 assay format
CHEMBL4443125 OBDepict Cl N H N + N N HN O _ O N H O CH 3 CH 3 N CH 3 H 3 C . O IC50 = 0.34 nM 539.02 CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccc(Cl)cc4)n3)cc2)CC(C)(C)N1[O] Homo sapiens CHEMBL4311509 single protein format
CHEMBL3675446 OBDepict Cl Cl HN O HN N N O NH 2 IC50 = 0.35 nM 466.33 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3675459 OBDepict CH 3 N H 3 C N H N N H N O O NH 2 Br IC50 = 0.35 nM 547.46 CN(C)CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3670467 OBDepict CH 3 O N H O HN N N O NH 2 IC50 = 0.35 nM 427.46 COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL415049 OBDepict CH 3 N O P O O OH OH N N N H N N H HN O F Ki = 0.37 nM 587.55 CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O Homo sapiens CHEMBL2396194 single protein format
CHEMBL415049 OBDepict CH 3 N O P O O OH OH N N N H N N H HN O F IC50 = 0.37 nM 587.55 CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O Homo sapiens CHEMBL3813579 single protein format
CHEMBL4633715 OBDepict CH 3 N P O OH OH O N N N H N N H N H O F IC50 = 0.37 nM 571.55 CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCP(=O)(O)O Homo sapiens CHEMBL4623056 cell-based format
CHEMBL1090479 OBDepict H 3 C N N N N HN H N O H 3 C CH 3 N CH 3 CH 3 Ki = 0.38 nM 507.64 CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1 Homo sapiens CHEMBL1104796 single protein format
CHEMBL3685250 OBDepict O N H N F F F N H N N O H 2 N IC50 = 0.38 nM 466.42 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)nc4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680550 OBDepict CH 3 O N H H N N H N O O NH 2 O CH 3 IC50 = 0.38 nM 485.54 COCC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685252 OBDepict Cl HN O N H N N O NH 2 IC50 = 0.38 nM 431.88 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Cl)c4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680572 OBDepict CH 3 N NH N H N N O NH 2 IC50 = 0.39 nM 384.44 Cc1ccnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3329684 OBDepict CH 3 O F N H O N H O N H O N H CH 3 H 3 C N H O N IC50 = 0.4 nM 588.64 COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=Cc2[nH]c(C)c(C(=O)NCCN3CCCC3)c2C)c(F)c1 Homo sapiens CHEMBL3380433 single protein format
CHEMBL3675444 OBDepict CH 3 N H N N H N O O NH 2 HO F IC50 = 0.4 nM 445.45 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(O)c2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3675493 OBDepict Cl N NH O N H CH 3 N N O NH 2 IC50 = 0.4 nM 448.91 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CCC(Cl)N=C2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680460 OBDepict CH 3 O F N H O NH H 3 C H N N O H 2 N IC50 = 0.41 nM 459.48 COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F Homo sapiens CHEMBL3707758 single protein format
CHEMBL3675438 OBDepict H 3 C NH N NH N O O NH 2 O O IC50 = 0.43 nM 455.47 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680417 OBDepict O N H O N H N N O NH 2 IC50 = 0.46 nM 439.48 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5c(c4)CCO5)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3670485 OBDepict Cl N NH O NH N N O NH 2 IC50 = 0.46 nM 432.87 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)nc4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3675510 OBDepict Cl F HN O HN N N O NH 2 IC50 = 0.47 nM 451.89 NC(=O)c1cccc2c(NCc3cccc(NC(=O)C4=CC(F)C(Cl)C=C4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680522 OBDepict CH 3 O F N H O HN N O NH 2 IC50 = 0.5 nM 444.47 COc1ccc(C(=O)Nc2cccc(CNc3ccnc4c(C(N)=O)cccc34)c2)cc1F Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680588 OBDepict CH 3 HN N HN N O O NH 2 F F IC50 = 0.5 nM 439.47 CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC(F)(F)C2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL2380829 OBDepict O N H F F N H N N H O IC50 = 0.5 nM 442.43 O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cccc(F)c1F Homo sapiens CHEMBL2382840 single protein format
CHEMBL3685249 OBDepict CH 3 HN O N H O N H N N O NH 2 IC50 = 0.5 nM 454.49 CC(=O)Nc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680587 OBDepict H 3 C O N N N H O NH N N O NH 2 IC50 = 0.5 nM 479.5 Cc1nc(-c2cccc(C(=O)Nc3cccc(CNc4ncnc5c(C(N)=O)cccc45)c3)c2)no1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680455 OBDepict O NH N H N F F F N H N N O H 2 N IC50 = 0.51 nM 455.4 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C(F)(F)F)n[nH]4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685272 OBDepict O N H Cl F F F N H N N O NH 2 IC50 = 0.52 nM 499.88 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3670470 OBDepict CH 3 N CH 3 NH O NH N N O H 2 N IC50 = 0.52 nM 440.51 CN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cc1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680599 OBDepict CH 3 HN N HN N O O NH 2 F F IC50 = 0.54 nM 425.44 CCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2CC2(F)F)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680446 OBDepict CH 3 O F N H O NH H 3 C N N O H 2 N IC50 = 0.57 nM 459.48 COc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680467 OBDepict O HN NH N N O NH 2 IC50 = 0.58 nM 323.36 NC(=O)c1cccc2c(NCC3C=CC=C(NC=O)C3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680421 OBDepict H 3 C N N N H O F F F NH H 3 C N N O H 2 N IC50 = 0.58 nM 497.48 CCn1nc(C(F)(F)F)cc1C(=O)Nc1cccc(C(C)Nc2ncnc3c(C(N)=O)cccc23)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3639742 OBDepict F F NH N N O NH 2 IC50 = 0.59 nM 314.3 NC(=O)c1cccc2c(NCc3ccc(F)cc3F)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL2380831 OBDepict O N H F F N H N N H O IC50 = 0.6 nM 442.43 O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1c(F)cccc1F Homo sapiens CHEMBL2382840 single protein format
CHEMBL3685307 OBDepict CH 3 O N H O HN N N HO O NH 2 IC50 = 0.6 nM 443.46 COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(O)cc34)c2)cc1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685268 OBDepict CH 3 N CH 3 N H O N H CH 3 N N O NH 2 IC50 = 0.62 nM 468.56 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(CN(C)C)cc2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3675466 OBDepict Br NH O N H CH 3 N N O NH 2 IC50 = 0.66 nM 492.38 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)C2=CCC(Br)C=C2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685308 OBDepict O N H F F F N H N N O NH 2 IC50 = 0.68 nM 467.45 NC(=O)C1=c2ncnc(NCc3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)c2=CCC1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3675506 OBDepict Br HN O F HN N N O NH 2 IC50 = 0.69 nM 494.32 NC(=O)c1cccc2c(NCc3ccc(F)c(NC(=O)c4ccc(Br)cc4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL2380833 OBDepict F F N H O HN N N H O IC50 = 0.7 nM 442.43 O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cc(F)cc(F)c1 Homo sapiens CHEMBL2382840 single protein format
CHEMBL3670468 OBDepict Br NH O NH N N O NH 2 IC50 = 0.71 nM 476.33 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680571 OBDepict OH NH O N H N N O NH 2 IC50 = 0.73 nM 427.46 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(CO)cc4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3670498 OBDepict CH 3 N H 3 C N NH O HN N N O NH 2 IC50 = 0.73 nM 441.5 CN(C)c1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)n1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680551 OBDepict NH 2 S N N H HN N N O NH 2 IC50 = 0.74 nM 405.49 NCc1cnc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)s1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680577 OBDepict N N N H N H N N O H 2 N IC50 = 0.76 nM 409.45 N#CCc1ccc(Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)nc1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685251 OBDepict Br HN O N H N N O NH 2 IC50 = 0.79 nM 476.33 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cccc(Br)c4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL484006 OBDepict CH 3 N H O S N N N H N N N N H 3 C H H 3 C H 3 C CH 3 Ki = 0.8 nM 494.67 CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C(C)(C)C)CC3)n2)cc1 Homo sapiens CHEMBL1031310 single protein format
CHEMBL3685267 OBDepict CH 3 O NH O CH 3 N H N N O NH 2 IC50 = 0.8 nM 441.49 COc1ccc(C(=O)Nc2cc(CNc3ncnc4c(C(N)=O)cccc34)ccc2C)cc1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL2380832 OBDepict O N H F F N H N N H O IC50 = 0.8 nM 442.43 O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(F)c(F)c1 Homo sapiens CHEMBL2382840 single protein format
CHEMBL3685293 OBDepict O N H N N N H N N O NH 2 IC50 = 0.81 nM 481.56 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc(N5CCCCC5)nc4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680507 OBDepict Br HN O N H N N N O NH 2 IC50 = 0.82 nM 587.52 NC(=O)c1cccc2c(NC(CCN3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3675380 OBDepict H 2 N O N N NH H 3 C H IC50 = 0.82 nM 292.34 C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3685266 OBDepict O N H F F N H N N O H 2 N IC50 = 0.88 nM 433.42 NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3675520 OBDepict CH 3 N H N N H N O O NH 2 O O IC50 = 0.89 nM 469.5 CC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL2063459 OBDepict O N H NH Cl N H O N H 2 N N N IC50 = 0.9 nM 435.88 Nc1ncnn2ccc(C(=O)Nc3cccc(CNC(=O)Nc4ccc(Cl)cc4)c3)c12 Homo sapiens CHEMBL2064921 single protein format
CHEMBL3680499 OBDepict CH 3 O N H N N H N O O NH 2 O CH 3 IC50 = 0.94 nM 485.54 COCCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(OC)cc2)c1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680474 OBDepict H 3 C O F F F N H O N H CH 3 N N O H 2 N IC50 = 0.94 nM 483.45 Cc1cc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(C(F)(F)F)o1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680542 OBDepict NH 2 O N N N H N H N IC50 = 0.94 nM 370.42 NC(=O)c1cccc2c(NCc3cccc(Nc4ccccn4)c3)ncnc12 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3670497 OBDepict H 3 C N CH 3 N HN O HN N N O NH 2 IC50 = 0.94 nM 441.5 CN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL3680567 OBDepict CH 3 O N H O HN N N HO O NH 2 IC50 = 0.96 nM 457.49 COc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cc(CO)cc34)c2)cc1 Homo sapiens CHEMBL3707758 single protein format
CHEMBL215322 OBDepict HO N H 3 C O N N N H N N H N H O F F Ki < 1.0 nM 525.56 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2c1 Homo sapiens CHEMBL856404 single protein format
CHEMBL214848 OBDepict HO N H 3 C O O N CH 3 N N H N N H HN O F F Ki < 1.0 nM 555.59 CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC Homo sapiens CHEMBL856404 single protein format
CHEMBL215022 OBDepict OH H N O N N N H N N H N H O F F Ki < 1.0 nM 537.57 O=C(Cc1cc(Nc2ncnc3cc(OCCCN4CCC[C@@H]4CO)ccc23)n[nH]1)Nc1cccc(F)c1F Homo sapiens CHEMBL856404 single protein format
CHEMBL385049 OBDepict HO H N O O N CH 3 N N H N N H N H O F F Ki = 1.0 nM 567.6 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN1CCC[C@@H]1CO Homo sapiens CHEMBL856404 single protein format
CHEMBL214637 OBDepict H 3 C N HO O N N N H N N H N H O F F Ki < 1.0 nM 539.59 CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2c1 Homo sapiens CHEMBL856404 single protein format
CHEMBL386253 OBDepict HO N H O O N H 3 C N N H N N H N H O F Ki = 1.0 nM 509.54 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCCNCCO Homo sapiens CHEMBL856404 single protein format
CHEMBL215275 OBDepict HO N H 3 C O O N CH 3 N N H N N H HN O F Ki = 1.0 nM 537.6 CCN(CCO)CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)c2cc1OC Homo sapiens CHEMBL856404 single protein format
CHEMBL424899 OBDepict OH H N O O N H 3 C N N H N N H N H O F Ki = 1.0 nM 549.61 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCCN1CCC[C@@H]1CO Homo sapiens CHEMBL856404 single protein format
CHEMBL215203 OBDepict OH H N O N N N H N N H N H O F Ki < 1.0 nM 519.58 O=C(Cc1cc(Nc2ncnc3cc(OCCCN4CCC[C@@H]4CO)ccc23)n[nH]1)Nc1cccc(F)c1 Homo sapiens CHEMBL856404 single protein format
CHEMBL215495 OBDepict CH 3 N OH O N N N H N N H N H O F Ki < 1.0 nM 521.6 CCCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 Homo sapiens CHEMBL856404 single protein format
CHEMBL215152 OBDepict OH N CH 3 O N N N H N N H N H O F Ki < 1.0 nM 507.57 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 Homo sapiens CHEMBL856404 single protein format
CHEMBL214940 OBDepict HO H N O O N CH 3 N N H N N H N H O F F Ki < 1.0 nM 567.6 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN1CCC[C@H]1CO Homo sapiens CHEMBL856404 single protein format
CHEMBL386310 OBDepict HO N N O O N H 3 C N N H N N H N H O F F Ki < 1.0 nM 596.64 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN1CCN(CCO)CC1 Homo sapiens CHEMBL856404 single protein format
CHEMBL214842 OBDepict CH 3 O O N N H N N N N H N H O OH F F Ki < 1.0 nM 567.6 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN1CCC(O)CC1 Homo sapiens CHEMBL856404 single protein format
CHEMBL384054 OBDepict HO N O O N H 3 C N N H N N H N H O F F Ki < 1.0 nM 595.65 COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)ncnc2cc1OCCCN1CCC(CCO)CC1 Homo sapiens CHEMBL856404 single protein format