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Q15118 | PDK1_HUMAN | "[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial" (PDK1)

3D structures mapped by conservation among orthologs

[ Domain: "ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase" // HATPase_c ]

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[ Domain: "alpha-ketoacid dehydrogenase kinase-N" // BCDHK_Adom3 ]

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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
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 0.506 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328551 single protein format
CHEMBL3673097 OBDepict NH 2 O N H 3 C H 3 C N O HO F F F OH H 3 C H 3 C IC50 = 3.5 nM 517.55 CC(C)(O)CCCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705670 cell-based format
CHEMBL3673096 OBDepict NH 2 O N H 3 C H 3 C N O HO F F F OH CH 3 H 3 C IC50 = 4.7 nM 503.52 CC(C)(O)CCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 Homo sapiens CHEMBL3705670 cell-based format
CHEMBL2347053 OBDepict H N N + N O N H O _ O IC50 = 8.3 nM 332.32 O=C1Nc2ccccc2/C1=C/c1c[nH]nc1-c1ccccc1[N+](=O)[O-] Homo sapiens CHEMBL2350679 single protein format
CHEMBL4591977 OBDepict Br S N O OH HO N O H 3 C CH 3 IC50 = 9.0 nM 475.36 CN(C)C(=O)c1ccc(N(Cc2cc(Br)cs2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403263 single protein format
CHEMBL3732310 OBDepict HO OH N O N N Cl S IC50 = 10.0 nM 504.01 O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)c3c(n2)CCSC3)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729086 OBDepict OH HO N O N N CH 3 N CH 3 IC50 = 10.0 nM 426.48 Cc1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)n1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729149 OBDepict H 3 C N N CH 3 N O HO N OH IC50 = 10.0 nM 440.5 CCc1cnc(C)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3731789 OBDepict OH OH N O N O H 3 C N N IC50 = 10.0 nM 518.57 CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729303 OBDepict HO N Cl N O HO N OH IC50 = 10.0 nM 511.97 O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc3ccc(Cl)cc3cc2CO)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3730141 OBDepict HO OH N O N N N F IC50 = 10.0 nM 466.47 O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ncnc3cccc(F)c23)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732285 OBDepict CH 3 N O N N N O OH H 3 C HO IC50 = 10.0 nM 532.6 Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(C(=O)N(C)Cc3ccc4nccnc4c3)cc2)c(O)cc1O Homo sapiens CHEMBL3734253 single protein format
CHEMBL3728894 OBDepict HO OH N O N N F F F F F F IC50 = 10.0 nM 533.43 O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729380 OBDepict HO NH O N O OH HO N CH 3 Cl N IC50 = 10.0 nM 532.98 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)CO)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3729515 OBDepict HO OH N O N N CH 3 H 2 N IC50 = 10.0 nM 426.48 Cc1cc(N)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3730847 OBDepict Cl N N H 3 C N O HO S Cl OH IC50 = 10.0 nM 486.38 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729400 OBDepict OH HO N O N H 3 C NH Cl N N O O IC50 = 10.0 nM 588.06 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CCOCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3730344 OBDepict O NH N O HO OH N CH 3 Cl N IC50 = 10.0 nM 557.05 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C3CCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3727731 OBDepict O HN N O OH HO N CH 3 Cl N IC50 = 10.0 nM 571.08 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3732329 OBDepict OH OH N O N CH 3 NH Cl N O S IC50 = 10.0 nM 585.09 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)c3cccs3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3732330 OBDepict HO OH N O N CH 3 HN Cl N O CH 3 CH 3 CH 3 IC50 = 10.0 nM 559.07 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(C)(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3731973 OBDepict CH 3 O HN O N O OH HO N H 3 C Cl N IC50 = 10.0 nM 547.01 COCC(=O)NCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3730739 OBDepict HO OH N O N N CH 3 IC50 = 10.0 nM 461.52 Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3730027 OBDepict OH OH N O Cl N N CH 3 IC50 = 10.0 nM 445.91 Cc1cccnc1-c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729957 OBDepict CH 3 N H HN O N O OH HO N H 3 C Cl N IC50 = 10.0 nM 546.03 CNCC(=O)NCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3728184 OBDepict O NH H N H N O OH HO N CH 3 Cl N IC50 = 10.0 nM 572.07 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)[C@@H]3CCCN3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3732778 OBDepict OH HO N O N N H 3 C Cl N IC50 = 10.0 nM 446.89 Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3727499 OBDepict O NH CH 3 CH 3 CH 3 N O HO OH N CH 3 Cl N IC50 = 10.0 nM 573.09 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)CC(C)(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3733225 OBDepict HO OH N O N N CH 3 N CH 3 F F F IC50 = 10.0 nM 494.47 Cc1nc(C(F)(F)F)nc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c1C Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732532 OBDepict H 3 C O N N Cl N O HO N Cl OH IC50 = 10.0 nM 497.34 COc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3733058 OBDepict CH 3 N H 3 C O N O OH Cl HO IC50 = 10.0 nM 424.88 CN(C)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3730940 OBDepict NH 2 O HN S O O N H 3 C N O HO OH IC50 = 10.0 nM 574.66 Cc1cc(S(=O)(=O)NCCCC(N)=O)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3731184 OBDepict HO OH N O S N H 3 C CH 3 N IC50 = 10.0 nM 431.52 Cc1ncc(C)c(-c2ccc(N(Cc3ccsc3)C(=O)c3ccc(O)cc3O)cc2)n1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3730155 OBDepict OH OH N O N N O H 3 C N N IC50 = 10.0 nM 519.56 CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3728145 OBDepict CH 3 N CH 3 N O HO OH N CH 3 Cl N IC50 = 10.0 nM 503.0 Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN(C)C)c2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3732265 OBDepict HO OH N O N N O CH 3 IC50 = 10.0 nM 517.59 CN(Cc1cccc2ccccc12)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3731319 OBDepict H 3 C O N H 3 C O N O OH N OH IC50 = 10.0 nM 497.55 COc1ccc(CN(C)C(=O)c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732928 OBDepict OH OH N O N N O H 3 C IC50 = 10.0 nM 517.59 CN(Cc1ccc2ccccc2c1)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729418 OBDepict CH 3 N H 3 C O N O OH N Cl HO IC50 = 10.0 nM 425.87 CN(C)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3730764 OBDepict CH 3 O N CH 3 O N O OH N Cl HO IC50 = 10.0 nM 532.0 COc1ccc(CN(C)C(=O)c2ccc(N(Cc3cccnc3)C(=O)c3cc(Cl)c(O)cc3O)cc2)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3728923 OBDepict HO OH N O N N CH 3 S NH O O N IC50 = 10.0 nM 581.65 Cc1cc(S(=O)(=O)NCc2ccncc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732037 OBDepict HO OH N O N N CH 3 S N O O F F IC50 = 10.0 nM 594.64 Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729383 OBDepict HO OH N O N N CH 3 S NH O O N IC50 = 10.0 nM 581.65 Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3733153 OBDepict NH 2 O HN S O O N H 3 C N O HO N OH IC50 = 10.0 nM 575.65 Cc1cc(S(=O)(=O)NCCCC(N)=O)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732100 OBDepict HO OH N O N N CH 3 S NH O O N IC50 = 10.0 nM 581.65 Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729314 OBDepict OH HO N O N N H 3 C S N O O F F IC50 = 10.0 nM 566.59 Cc1cc(S(=O)(=O)N2CC(F)(F)C2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3730383 OBDepict CH 3 N H O HN S O O N H 3 C N O HO N OH IC50 = 10.0 nM 575.65 CC(=O)NCCNS(=O)(=O)c1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729230 OBDepict HO OH N O N CH 3 S NH O O N IC50 = 10.0 nM 580.67 Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3731211 OBDepict HO OH N O N N CH 3 S N O O IC50 = 10.0 nM 558.66 Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729360 OBDepict CH 3 N N S O O N H 3 C N O HO N OH IC50 = 10.0 nM 573.67 Cc1cc(S(=O)(=O)N2CCN(C)CC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3731577 OBDepict HO OH N O N N CH 3 S N O O O IC50 = 10.0 nM 560.63 Cc1cc(S(=O)(=O)N2CCOCC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3728913 OBDepict HO OH N O N N CH 3 S NH O O IC50 = 10.0 nM 580.67 Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732102 OBDepict H 3 C NH S O O N H 3 C N O OH N HO IC50 = 10.0 nM 504.57 CNS(=O)(=O)c1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3728475 OBDepict OH HO N O N N H 3 C S NH O O S IC50 = 10.0 nM 586.7 Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732196 OBDepict Cl N N CH 3 N O OH Cl HO N IC50 = 10.0 nM 563.49 Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCCC3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3730985 OBDepict O HN O N O OH HO N CH 3 Cl N IC50 = 10.0 nM 573.05 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C3CCCO3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3733362 OBDepict OH HO N O N H 3 C S NH O O S IC50 = 10.0 nM 585.71 Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732144 OBDepict Cl N N H 3 C N O HO N Cl OH IC50 = 10.0 nM 481.34 Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3728447 OBDepict HO OH N O N N CH 3 CH 3 N IC50 = 10.0 nM 426.48 Cc1ncc(C)c(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3727492 OBDepict CH 3 N N S O O N H 3 C N O HO OH IC50 = 10.0 nM 572.69 Cc1cc(S(=O)(=O)N2CCN(C)CC2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732487 OBDepict CH 3 N H O HN S O O N H 3 C N O HO OH IC50 = 10.0 nM 574.66 CC(=O)NCCNS(=O)(=O)c1cnc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3727940 OBDepict HO OH N O N CH 3 S NH O O N IC50 = 10.0 nM 580.67 Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3730756 OBDepict OH OH N O S N N CH 3 Cl N IC50 = 10.0 nM 452.92 Cc1cnc(Cl)nc1-c1ccc(N(Cc2cnsc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3727595 OBDepict H 3 C O N N Cl N O OH S N HO IC50 = 10.0 nM 468.92 COc1cnc(Cl)nc1-c1ccc(N(Cc2cnsc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3728542 OBDepict H 3 C O N S CH 3 O O N H 3 C N O HO N OH IC50 = 10.0 nM 562.65 COCCN(C)S(=O)(=O)c1cnc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732302 OBDepict OH OH N O N CH 3 NH Cl N N O IC50 = 10.0 nM 572.06 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3727843 OBDepict HO OH N O N CH 3 N Cl N IC50 = 10.0 nM 529.04 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732388 OBDepict HO OH N O N N CH 3 Cl N Cl IC50 = 10.0 nM 481.34 Cc1c(Cl)nc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3730015 OBDepict CH 3 N H 3 C NH S O O N CH 3 N O OH S HO IC50 = 10.0 nM 566.71 Cc1cc(S(=O)(=O)NCCN(C)C)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3727577 OBDepict O HN F F N O OH HO N CH 3 Cl N IC50 = 10.0 nM 552.97 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3733308 OBDepict H 3 C N O HO OH N CH 3 IC50 = 10.0 nM 474.56 Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc4ccccc4cc3C)cc2)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729526 OBDepict CH 3 N N S O O N CH 3 N O OH S HO IC50 = 10.0 nM 578.72 Cc1cc(S(=O)(=O)N2CCN(C)CC2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3731207 OBDepict Cl N N H 3 C N O HO Cl OH IC50 = 10.0 nM 480.35 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732653 OBDepict H 3 C N O HO OH N CH 3 H 3 C N IC50 = 10.0 nM 439.52 Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3728570 OBDepict OH HO N O S N CH 3 S N O O IC50 = 10.0 nM 563.7 Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3730864 OBDepict CH 3 O N CH 3 O N O HO S CH 3 OH IC50 = 10.0 nM 516.62 COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccsc3)C(=O)c3cc(C)c(O)cc3O)cc2)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732512 OBDepict OH HO N O S N CH 3 S NH O O N IC50 = 10.0 nM 586.7 Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3733033 OBDepict HO OH N O N N N CH 3 Cl IC50 = 10.0 nM 446.89 Cc1cc(Cl)nnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3727900 OBDepict HO OH N O N CH 3 CH 3 IC50 = 10.0 nM 424.5 Cc1ccc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732549 OBDepict OH HO N O N N N H 3 C N IC50 = 10.0 nM 477.52 Cc1nccn1-c1ccc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)nn1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3731784 OBDepict HO OH N O S N O CH 3 N IC50 = 10.0 nM 523.61 CN(Cc1cccc2cnccc12)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3727570 OBDepict HO OH N O Cl IC50 = 10.0 nM 429.9 O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ccccc2Cl)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3731468 OBDepict OH OH N O N CH 3 NH Cl N O O N IC50 = 10.0 nM 570.01 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)c3ccno3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3730047 OBDepict F N O HO OH N CH 3 IC50 = 10.0 nM 478.52 Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccc(F)c2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3728227 OBDepict OH HO N O S N O H 3 C N N IC50 = 10.0 nM 524.6 CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729016 OBDepict HO OH N O S N O H 3 C CH 3 IC50 = 10.0 nM 396.47 CN(C)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3732819 OBDepict H 3 C N O N N N O HO S CH 3 OH IC50 = 10.0 nM 538.63 Cc1cc(C(=O)N(Cc2ccsc2)c2ccc(C(=O)N(C)Cc3ccc4nccnc4c3)cc2)c(O)cc1O Homo sapiens CHEMBL3734252 single protein format
CHEMBL3733014 OBDepict HO OH N O H 3 C H N CH 3 Cl N IC50 = 10.0 nM 459.93 Cc1cnc(Cl)nc1-c1ccc(N(C(=O)c2ccc(O)cc2O)[C@@H](C)c2ccccc2)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3728428 OBDepict H 3 C O N N Cl N O HO N OH IC50 = 10.0 nM 462.89 COc1cnc(Cl)nc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3729663 OBDepict HO OH N O O N N N CH 3 CH 3 IC50 = 10.0 nM 542.6 Cc1noc(-c2ccccc2CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc4ccccc4cc3C)cc2)n1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL3727487 OBDepict O HN N O HO OH N CH 3 Cl N IC50 = 10.0 nM 543.02 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C3CC3)cc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734253 single protein format
CHEMBL3729277 OBDepict Cl N N CH 3 N O OH Cl HO N N IC50 = 10.0 nM 560.44 Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(Cn3ccnc3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL495727 OBDepict O NH NH N N H N N H N O IC50 = 10.0 nM 381.44 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 Homo sapiens CHEMBL1009915 single protein format
CHEMBL3732469 OBDepict OH HO N O N H 3 C Cl N IC50 = 10.0 nM 445.91 Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL3734252 single protein format
CHEMBL4519504 OBDepict I O N O OH HO N O H 3 C CH 3 IC50 = 14.0 nM 506.3 CN(C)C(=O)c1ccc(N(Cc2ccc(I)o2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403263 single protein format
CHEMBL3717438 OBDepict HO OH N O H N N H 3 C Cl N IC50 = 15.0 nM 472.93 Cc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O Homo sapiens CHEMBL4008872 single protein format
CHEMBL3718319 OBDepict OH OH N O H CH 3 N O H 3 C N N Ki = 16.0 nM 482.54 C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc4nccnc4c3)ccc2N1C(=O)c1ccc(O)cc1O Homo sapiens CHEMBL4008867 single protein format
CHEMBL3354654 OBDepict CH 3 O N N H O N O OH O Cl CH 3 HO IC50 = 17.0 nM 564.04 COc1ccc(CN2CCC(NC(=O)c3noc(-c4cc(Cl)c(O)cc4O)c3-c3ccc(OC)cc3)CC2)cc1 Homo sapiens CHEMBL3378284 assay format
CHEMBL4461160 OBDepict HO OH N O N S Br N O H 3 C CH 3 IC50 = 20.0 nM 476.35 CN(C)C(=O)c1ccc(N(Cc2ncc(Br)s2)C(=O)c2ccc(O)cc2O)cc1 Homo sapiens CHEMBL4403263 single protein format
CHEMBL4558837 OBDepict CH 3 O N O OH HO N O H 3 C CH 3 IC50 = 20.0 nM 394.43 Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(C(=O)N(C)C)cc2)o1 Homo sapiens CHEMBL4403263 single protein format