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P31751 | AKT2_HUMAN | RAC-beta serine/threonine-protein kinase (AKT2)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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

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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
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -1300.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804339 cell-based format
CHEMBL3701767 OBDepict NH 2 O O N N NH 2 CH 3 OH IC50 = 0.26 nM 466.54 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(N)=O)cc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701740 OBDepict CH 3 O O O CH 3 N N H 2 N OH IC50 = 0.27 nM 509.61 COc1cc(OC)c2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701766 OBDepict H 3 C NH O O N N H 2 N CH 3 OH IC50 = 0.28 nM 480.57 CNC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701717 OBDepict F O N N H 2 N OH IC50 = 0.29 nM 467.54 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701737 OBDepict Cl O N N H 2 N OH IC50 = 0.3 nM 484.0 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(Cl)c3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701769 OBDepict CH 3 NH O O N N H 2 N CH 3 OH IC50 = 0.31 nM 494.6 CCNC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701762 OBDepict H N N O N N NH 2 CH 3 OH IC50 = 0.32 nM 489.58 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(-c5ccn[nH]5)cc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701775 OBDepict H 3 C O NH O O N N H 2 N CH 3 OH IC50 = 0.4 nM 510.59 CCONC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701776 OBDepict NH 2 O O N N NH 2 CH 3 OH IC50 = 0.4 nM 466.54 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(N)=O)ccc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701763 OBDepict H N N O N N NH 2 CH 3 OH IC50 = 0.42 nM 489.58 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(-c5cn[nH]c5)cc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701749 OBDepict OH NH 2 N N O N IC50 = 0.48 nM 450.54 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701770 OBDepict H 3 C N H O O N N H 2 N CH 3 OH IC50 = 0.49 nM 480.57 CNC(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701718 OBDepict F O N N NH 2 CH 3 OH IC50 = 0.5 nM 441.51 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701773 OBDepict H 3 C O N H O O N N H 2 N CH 3 OH IC50 = 0.53 nM 510.59 CCONC(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL4441825 OBDepict HO H N H H H N H O F O F Cl N Cl CH 3 N IC50 = 0.54 nM 499.35 Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CCO)C[C@H]2c2ccc(F)c(F)c2)oc1Cl Homo sapiens CHEMBL4407364 single protein format
CHEMBL3701758 OBDepict HO O N N NH 2 CH 3 OH IC50 = 0.55 nM 453.54 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(CO)cc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701774 OBDepict OH N H O O N N NH 2 CH 3 OH IC50 = 0.57 nM 510.59 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(=O)NCCO)cc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701734 OBDepict CH 3 O O N N H 2 N OH IC50 = 0.6 nM 479.58 COc1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL523586 OBDepict NH 2 N H H O S F Br N N H Ki = 0.63 nM 473.37 NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959245 single protein format
CHEMBL3701772 OBDepict HO HN O O N N NH 2 CH 3 OH IC50 = 0.7 nM 510.59 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(=O)NCCO)ccc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701720 OBDepict F O N N S H 2 N OH IC50 = 0.71 nM 473.57 NC1(c2ccc(-c3nc4n(c3-c3ccsc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701750 OBDepict CH 3 OH H 2 N N N O N IC50 = 0.74 nM 424.5 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701735 OBDepict CH 3 O O N N H 2 N CH 3 OH IC50 = 0.75 nM 453.54 COc1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701746 OBDepict CH 3 OH H 2 N N N O N IC50 = 0.78 nM 438.53 CCC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701764 OBDepict H 3 C N O N N H 2 N CH 3 OH IC50 = 0.85 nM 438.53 Cc1cnc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701752 OBDepict OH NH 2 N N O N IC50 = 0.91 nM 450.54 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701722 OBDepict F O N N S NH 2 CH 3 OH IC50 = 0.91 nM 447.54 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccsc3)COc3cccc(F)c3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701721 OBDepict F O N N N H 2 N OH IC50 = 0.91 nM 468.53 NC1(c2ccc(-c3nc4n(c3-c3ccncc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701736 OBDepict CH 3 O O N N H 2 N CH 3 OH IC50 = 0.91 nM 453.54 COc1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701777 OBDepict OH O O N N OH CH 3 OH IC50 = 0.91 nM 468.51 CC1(O)CC(O)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(=O)O)cc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701778 OBDepict OH O O N N OH CH 3 OH IC50 = 0.94 nM 468.51 CC1(O)CC(O)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(=O)O)ccc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701753 OBDepict CH 3 OH H 2 N N N O N IC50 = 0.97 nM 424.5 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701761 OBDepict N O N N NH 2 CH 3 OH IC50 = 0.97 nM 448.53 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C#N)cc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL1099297 OBDepict NH 2 O H N N N CH 3 OH H 3 C H 3 C N O H 2 N N Ki = 1.0 nM 461.53 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@@H](CCN)c3ccccc3)cc21 Homo sapiens CHEMBL1109953 single protein format
CHEMBL3701724 OBDepict F O N N NH 2 CH 3 OH IC50 = 1.0 nM 441.51 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(F)cc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3137336 OBDepict H 2 N N H H O O F Cl F N Cl H 3 C N IC50 = 1.0 nM 429.25 Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)oc1Cl Homo sapiens CHEMBL4407364 single protein format
CHEMBL3701727 OBDepict OH NH 2 N N O IC50 = 1.0 nM 449.55 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701723 OBDepict F O N N N NH 2 CH 3 OH IC50 = 1.1 nM 442.49 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccncc3)COc3cccc(F)c3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701751 OBDepict NH 2 N N O N IC50 = 1.1 nM 394.48 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cnccc3-4)cc2)CCC1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701765 OBDepict CH 3 O N O N N H 2 N CH 3 OH IC50 = 1.1 nM 454.53 COc1ccc2c(n1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701747 OBDepict CH 3 OH H 2 N N N O N IC50 = 1.1 nM 424.5 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL4440965 OBDepict H 3 C NH O H HN H H NH O F O F Cl N Cl CH 3 N IC50 = 1.2 nM 526.37 CNC(=O)C[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[C@H](NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CN1 Homo sapiens CHEMBL4407364 single protein format
CHEMBL3701719 OBDepict F O N N H 2 N IC50 = 1.2 nM 411.48 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)CCC1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701760 OBDepict N O N N NH 2 CH 3 OH IC50 = 1.2 nM 448.53 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C#N)ccc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701768 OBDepict CH 3 N H 3 C O O N N H 2 N CH 3 OH IC50 = 1.3 nM 494.6 CN(C)C(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701726 OBDepict F O N N H 2 N OH IC50 = 1.4 nM 467.54 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3c(F)cccc3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701741 OBDepict H 3 C O N N H 2 N OH IC50 = 1.5 nM 463.58 Cc1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701754 OBDepict NH 2 N N O N IC50 = 1.6 nM 394.48 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)CCC1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701742 OBDepict OH NH 2 N N N O IC50 = 1.6 nM 450.54 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701738 OBDepict CH 3 O O N N H 2 N OH IC50 = 1.7 nM 493.61 CCOc1cccc2c1-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3679632 OBDepict F F N N N N NH 2 CH 3 OH IC50 = 1.7 nM 471.51 C[C@]1(O)C[C@@](N)(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C1 Homo sapiens CHEMBL3707653 single protein format
CHEMBL3701728 OBDepict CH 3 OH H 2 N N N O IC50 = 1.7 nM 423.52 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701748 OBDepict NH 2 N N O N IC50 = 1.7 nM 394.48 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)CCC1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701739 OBDepict CH 3 O O N N H 2 N CH 3 OH IC50 = 1.8 nM 467.57 CCOc1cccc2c1-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL1098938 OBDepict H 3 C N N N O NH 2 N O N H 2 N H OH H 3 C H 3 C Ki = 2.0 nM 461.53 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H](N)Cc3ccccc3)cc21 Homo sapiens CHEMBL1109953 single protein format
CHEMBL496690 OBDepict NH 2 N H H O S Br F N N H Ki = 2.0 nM 473.37 NC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959245 single protein format
CHEMBL3701743 OBDepict CH 3 OH H 2 N N N N O IC50 = 2.0 nM 424.5 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701732 OBDepict H 3 C O O N N H 2 N OH IC50 = 2.0 nM 479.58 COc1cccc2c1-c1nc(-c3ccc(C4(N)CC(O)(C5CC5)C4)cc3)c(-c3ccccc3)n1CO2 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701725 OBDepict F O N N NH 2 CH 3 OH IC50 = 2.0 nM 441.51 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(F)ccc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL598194 OBDepict Cl N H O H 2 N N N N N H IC50 = 2.2 nM 384.87 NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1 Homo sapiens CHEMBL1072809 single protein format
CHEMBL3701759 OBDepict HO O N N NH 2 CH 3 OH IC50 = 2.7 nM 453.54 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(CO)ccc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701729 OBDepict NH 2 N N O IC50 = 2.8 nM 393.49 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)CCC1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL4574111 OBDepict NH 2 N N N NH 2 N NH 2 ClH IC50 = 2.8 nM 484.01 Cl.Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1 Homo sapiens CHEMBL4478654 cell-based format
CHEMBL470597 OBDepict NH 2 N H H O S Br N N H Ki = 3.0 nM 455.38 NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959245 single protein format
CHEMBL228867 OBDepict O NH N N H CH 3 O NH HN O NH 2 IC50 = 3.0 nM 450.54 C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CCN2CCCCC2)c[nH]1 Homo sapiens CHEMBL889499 single protein format
CHEMBL228652 OBDepict H 2 N N H O N H N H O NH 2 IC50 = 3.0 nM 373.42 NCc1cccc(-c2c[nH]c(/C=C3C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1 Homo sapiens CHEMBL889499 single protein format
CHEMBL2177361 OBDepict O N H N H N F N F F F N H CH 3 H HO IC50 = 3.0 nM 521.56 C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CNCC4CC4)c4ccc(C(F)(F)F)c(F)c4)CC3)c21 Homo sapiens CHEMBL2188025 assay format
CHEMBL409503 OBDepict NH 2 N N N Cl N N H IC50 = 3.0 nM 356.86 NCC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1 Homo sapiens CHEMBL932635 single protein format
CHEMBL3672068 OBDepict H 3 C N N N H N N N N N CH 3 Br IC50 = 3.0 nM 591.52 Cc1cccc(-c2nc(C3CN(Cc4ccc(-c5nc6nc(C)c(Br)n6cc5-c5ccccc5)cc4)C3)n[nH]2)n1 Homo sapiens CHEMBL3705789 cell-based format
CHEMBL4519558 OBDepict CH 3 HN O N N N NH 2 N NH 2 ClH IC50 = 3.2 nM 526.04 CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Cl Homo sapiens CHEMBL4478654 cell-based format
CHEMBL3701755 OBDepict OH NH 2 N N N O N IC50 = 3.3 nM 451.53 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3nccnc3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3701771 OBDepict O N H 3 C CH 3 O N N H 2 N CH 3 OH IC50 = 3.5 nM 494.6 CN(C)C(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL494089 OBDepict CH 3 N N N O O H 2 N N N H HN OH H 3 C H 3 C Ki = 4.0 nM 425.49 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 Homo sapiens CHEMBL1028118 single protein format
CHEMBL523859 OBDepict CH 3 N N N O O H 2 N N N NH 2 H HO H 3 C CH 3 IC50 = 4.0 nM 475.55 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC[C@@H](N)Cc3ccccc3)c21 Homo sapiens CHEMBL1028093 single protein format
CHEMBL2177378 OBDepict OH HN CH 3 CH 3 H N O N Cl N N H H 3 C H OH IC50 = 4.0 nM 488.03 C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CNC(C)(C)CO)c4ccc(Cl)cc4)CC3)c21 Homo sapiens CHEMBL2188025 assay format
CHEMBL520788 OBDepict NH 2 N H H O S F F F Br N N H Ki = 4.0 nM 523.38 NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959245 single protein format
CHEMBL597600 OBDepict Cl F N H O H 2 N N N N N H IC50 = 4.0 nM 402.86 NC1(C(=O)NCc2ccc(Cl)cc2F)CCN(c2ncnc3[nH]ccc23)CC1 Homo sapiens CHEMBL1072809 single protein format
CHEMBL228804 OBDepict CH 3 N H 3 C NH O N H O N H N H O H 2 N IC50 = 4.0 nM 458.52 CN(C)CCNC(=O)c1cccc(-c2c[nH]c(/C=C3C(=O)Nc4ccc(NC(N)=O)cc43)c2)c1 Homo sapiens CHEMBL889499 single protein format
CHEMBL425650 OBDepict NH 2 HN O NH O N H N H O N IC50 = 4.0 nM 498.59 NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(=O)NCCN4CCCCC4)c3)c[nH]1)C(=O)N2 Homo sapiens CHEMBL889499 single protein format
CHEMBL3672088 OBDepict CH 3 S N N N N N N N N H N CH 3 IC50 = 4.0 nM 573.73 CSc1nc2nc(-c3ccc(CN4CCC(c5n[nH]c(-c6cccc(C)n6)n5)CC4)cc3)c(-c3ccccc3)cn2n1 Homo sapiens CHEMBL3705789 cell-based format
CHEMBL3672027 OBDepict H N N N N N N N N CH 3 Br IC50 = 4.0 nM 577.49 Cc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6ccccn6)n5)C4)cc3)c(-c3ccccc3)cn2c1Br Homo sapiens CHEMBL3705789 cell-based format
CHEMBL3701756 OBDepict CH 3 OH H 2 N N N N O N IC50 = 4.0 nM 425.49 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3nccnc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL3672083 OBDepict CH 3 S N N N N N N N N H N CH 3 IC50 = 4.0 nM 545.68 CSc1nc2nc(-c3ccc(CN4CC(c5n[nH]c(-c6cccc(C)n6)n5)C4)cc3)c(-c3ccccc3)cn2n1 Homo sapiens CHEMBL3705789 cell-based format
CHEMBL3701744 OBDepict NH 2 N N N O IC50 = 4.0 nM 394.48 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)CCC1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL228810 OBDepict H 3 C N HN O N H H 3 C O N H HN O NH 2 IC50 = 4.0 nM 436.52 C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)C2CCN(C)CC2)c[nH]1 Homo sapiens CHEMBL889499 single protein format
CHEMBL482536 OBDepict H 2 N N H H O S Br F F F N N H Ki = 4.0 nM 523.38 NC[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959245 single protein format
CHEMBL4523032 OBDepict NH 2 N N N N NH 2 ClH IC50 = 4.5 nM 468.99 Cl.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1 Homo sapiens CHEMBL4478654 cell-based format
CHEMBL3701745 OBDepict CH 3 OH H 2 N N N N O IC50 = 4.6 nM 438.53 CCC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccnc3-4)cc2)C1 Homo sapiens CHEMBL3708023 cell-based format
CHEMBL599849 OBDepict Cl Cl N H O H 2 N N N N N H IC50 = 4.9 nM 419.32 NC1(C(=O)NCc2ccc(Cl)cc2Cl)CCN(c2ncnc3[nH]ccc23)CC1 Homo sapiens CHEMBL1072809 single protein format
CHEMBL598842 OBDepict Cl N H O NH 2 N N N N H N O H IC50 = 5.0 nM 401.86 NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]c(=O)[nH]c23)CC1 Homo sapiens CHEMBL1072809 single protein format
CHEMBL378963 OBDepict Cl N O H 2 N H N N H IC50 = 5.0 nM 428.92 N[C@H](COc1cnc(Cl)c(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL861321 single protein format
CHEMBL207544 OBDepict CH N O H 2 N H N N H IC50 = 5.0 nM 418.5 C#Cc1ncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1 Homo sapiens CHEMBL861321 single protein format
CHEMBL522351 OBDepict OH OH H HN O N N N H 3 C N O H 2 N N HO CH 3 CH 3 IC50 = 5.0 nM 459.51 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCNC[C@H](O)CO)c21 Homo sapiens CHEMBL1028093 single protein format
CHEMBL260000 OBDepict NH 2 N N Cl N N H IC50 = 5.0 nM 355.87 NCC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1 Homo sapiens CHEMBL932635 single protein format
CHEMBL2178597 OBDepict O N H N H N F H 3 C CH 3 H 3 C N F F F N H H 3 C H OH IC50 = 5.0 nM 523.58 C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CNC(C)(C)C)c4ccc(C(F)(F)F)c(F)c4)CC3)c21 Homo sapiens CHEMBL2188025 assay format
CHEMBL228812 OBDepict NH 2 NH O N H CH 3 O N H NH O H 2 N IC50 = 5.0 nM 368.4 C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CN)c[nH]1 Homo sapiens CHEMBL889499 single protein format
CHEMBL228547 OBDepict NH 2 HN O N H O N H O H 2 N IC50 = 5.0 nM 387.4 NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(N)=O)c3)c[nH]1)C(=O)N2 Homo sapiens CHEMBL889499 single protein format
CHEMBL1099276 OBDepict NH 2 O H N N N CH 3 OH H 3 C H 3 C N O H 2 N N Ki = 5.0 nM 447.5 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@@H](CN)c3ccccc3)cc21 Homo sapiens CHEMBL1109953 single protein format
CHEMBL228811 OBDepict H N CH 3 NH NH O O N H HN N H O NH 2 IC50 = 5.0 nM 423.48 C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)C2CNCCN2)c[nH]1 Homo sapiens CHEMBL889499 single protein format