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P31749 | AKT1_HUMAN | RAC-alpha serine/threonine-protein kinase (AKT1)

3D structures mapped by conservation among orthologs

[ 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
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -15200.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804338 cell-based format
CHEMBL523586 OBDepict NH 2 N H H O S F Br N N H Ki = 0.03 nM 473.37 NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL469590 OBDepict NH 2 N H O S Br N N H Ki = 0.04 nM 455.38 NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL520788 OBDepict NH 2 N H H O S F F F Br N N H Ki = 0.05 nM 523.38 NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL496690 OBDepict NH 2 N H H O S Br F N N H Ki = 0.06 nM 473.37 NC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL470597 OBDepict NH 2 N H H O S Br N N H Ki = 0.06 nM 455.38 NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL2219422 OBDepict NH 2 N H H O S F Cl N Cl CH 3 N Ki = 0.08 nM 427.33 Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(F)c2)sc1Cl Homo sapiens CHEMBL4307006 single protein format
CHEMBL3899716 OBDepict F H 3 C N N N N N Br N NH 2 IC50 = 0.1 nM 514.45 Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Br)CC3)n2)ccc1F Homo sapiens CHEMBL3887297 single protein format
CHEMBL482536 OBDepict H 2 N N H H O S Br F F F N N H Ki = 0.1 nM 523.38 NC[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL3966806 OBDepict CH 3 H 3 C N N N N N N Br N NH 2 IC50 = 0.15 nM 525.5 CC(C)c1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Br)CC3)n2)ccn1 Homo sapiens CHEMBL3887297 single protein format
CHEMBL379300 OBDepict H N H 2 N H O N N CH 3 N H IC50 = 0.16 nM 397.48 Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12 Homo sapiens CHEMBL889241 single protein format
CHEMBL379300 OBDepict H N H 2 N H O N N CH 3 N H Ki = 0.16 nM 397.48 Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12 Homo sapiens CHEMBL864940 single protein format
CHEMBL573326 OBDepict O N H O N O NH 2 H N H IC50 = 0.17 nM 464.53 N[C@H](COc1cncc(-c2ccc3c(c2)C(c2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL1049250 single protein format
CHEMBL210954 OBDepict O N H H 3 C H 3 C O N O H 2 N H N H IC50 = 0.17 nM 520.63 CC(C)(Cc1ccco1)C1C(=O)Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc21 Homo sapiens CHEMBL866644 single protein 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 = 0.2 nM 461.53 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@@H](CCN)c3ccccc3)cc21 Homo sapiens CHEMBL1109952 single protein 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 = 0.2 nM 461.53 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H](N)Cc3ccccc3)cc21 Homo sapiens CHEMBL1109952 single protein format
CHEMBL3936990 OBDepict H 3 C H 2 N N N N N N N CH 3 H 3 C F IC50 = 0.3 nM 463.61 CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CC2CN(C)C2)CC1 Homo sapiens CHEMBL3887297 single protein format
CHEMBL3679636 OBDepict F F N N N N H 2 N OH IC50 = 0.34 nM 497.55 N[C@]1(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C[C@](O)(C2CC2)C1 Homo sapiens CHEMBL3705350 single protein format
CHEMBL376569 OBDepict H N H 2 N H O N N N CH 3 N H IC50 = 0.34 nM 398.47 Cc1n[nH]c2cnc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12 Homo sapiens CHEMBL903964 single protein format
CHEMBL3679632 OBDepict F F N N N N NH 2 CH 3 OH IC50 = 0.38 nM 471.51 C[C@]1(O)C[C@@](N)(c2ccc(-c3nc4ccc5nnc(C(F)F)n5c4cc3-c3ccccc3)cc2)C1 Homo sapiens CHEMBL3705350 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 = 0.4 nM 447.5 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@@H](CN)c3ccccc3)cc21 Homo sapiens CHEMBL1109952 single protein format
CHEMBL3906990 OBDepict CH 3 NH 2 N N N N N N Cl F IC50 = 0.4 nM 498.05 CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCCC2)CC1 Homo sapiens CHEMBL3887297 single protein format
CHEMBL3969572 OBDepict H 3 C NH O N N N N N H O N S N N N IC50 = 0.4 nM 558.67 CNC(=O)C1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1 Homo sapiens CHEMBL3887422 single protein format
CHEMBL3943127 OBDepict CH 3 HN N N N F F F F N O N H 2 N H 3 C CH 3 IC50 = 0.52 nM 535.59 CCNCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2OC(C)C)CC1 Homo sapiens CHEMBL3887297 single protein 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 IC50 = 0.6 nM 461.53 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H](N)Cc3ccccc3)cc21 Homo sapiens CHEMBL1109952 single protein format
CHEMBL226330 OBDepict H N H 2 N H O N N N N H IC50 = 0.6 nM 384.44 N[C@H](COc1cncc(-c2cc3cn[nH]c3cn2)c1)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL903964 single protein format
CHEMBL226898 OBDepict CH 3 N N H N N O NH 2 H F F F IC50 = 0.6 nM 427.43 Cc1n[nH]c2cnc(-c3cncc(OC[C@@H](N)Cc4cccc(C(F)(F)F)c4)c3)cc12 Homo sapiens CHEMBL889241 single protein format
CHEMBL3980521 OBDepict N H 2 N N N N N N N H F F F F CH 3 CH 3 IC50 = 0.7 nM 530.57 CC(C)CNCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C#N)CC1 Homo sapiens CHEMBL3887297 single protein format
CHEMBL575631 OBDepict O N H O CH 3 N O NH 2 H N H IC50 = 0.7 nM 478.55 Cc1ccc(C2C(=O)Nc3ccc(-c4cncc(OC[C@@H](N)Cc5c[nH]c6ccccc56)c4)cc32)o1 Homo sapiens CHEMBL1049250 single protein format
CHEMBL3927358 OBDepict N NH 2 N N N N N N H CH 3 F IC50 = 0.7 nM 488.62 Cc1cc(-c2cn(CCNC3CCCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F Homo sapiens CHEMBL3887297 single protein format
CHEMBL426140 OBDepict O N H H 3 C H 3 C O H 3 C N O H 2 N H N H IC50 = 0.7 nM 534.66 Cc1ccc(CC(C)(C)C2C(=O)Nc3ccc(-c4cncc(OC[C@@H](N)Cc5c[nH]c6ccccc56)c4)cc32)o1 Homo sapiens CHEMBL866644 single protein format
CHEMBL3679635 OBDepict OH NH 2 N N N N HN NH HN IC50 = 0.7 nM 518.63 N[C@]1(c2ccc(-c3nc4ccc5nnc(C6NCNN6)n5c4cc3-c3ccccc3)cc2)C[C@](O)(C2CC2)C1 Homo sapiens CHEMBL3705350 single protein format
CHEMBL470598 OBDepict NH 2 N H H O S Br N N H Ki = 0.79 nM 461.43 NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL3701762 OBDepict H N N O N N NH 2 CH 3 OH IC50 = 0.8 nM 489.58 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(-c5ccn[nH]5)cc3-4)cc2)C1 Homo sapiens CHEMBL3705737 cell-based format
CHEMBL207544 OBDepict CH N O H 2 N H N N H IC50 = 0.8 nM 418.5 C#Cc1ncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1 Homo sapiens CHEMBL861320 single protein format
CHEMBL3986943 OBDepict CH 3 O NH 2 N N N N N N CH 3 CH 3 H 3 C F IC50 = 0.8 nM 495.65 CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN(CC)CC)CC1 Homo sapiens CHEMBL3887297 single protein format
CHEMBL3960355 OBDepict N NH 2 N N N N N N H F F F F IC50 = 0.8 nM 542.59 N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCNC2CCCC2)CC1 Homo sapiens CHEMBL3887297 single protein format
CHEMBL572908 OBDepict CH 3 N O H 2 N H N N H IC50 = 0.8 nM 422.53 CCc1ncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1 Homo sapiens CHEMBL1049250 single protein format
CHEMBL229320 OBDepict I H 2 N H O N N CH 3 N H IC50 = 0.9 nM 484.34 Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(I)c4)c3)cc12 Homo sapiens CHEMBL889241 single protein format
CHEMBL572884 OBDepict O N H S N O NH 2 H N H IC50 = 0.9 nM 480.59 N[C@H](COc1cncc(-c2ccc3c(c2)C(c2cccs2)C(=O)N3)c1)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL1049250 single protein format
CHEMBL3975211 OBDepict N N N N N N H O N S N N N IC50 = 0.9 nM 498.58 N#CC1CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1 Homo sapiens CHEMBL3887422 single protein format
CHEMBL209826 OBDepict O N H H 3 C H 3 C S N O H 2 N H N H IC50 = 0.9 nM 536.7 CC(C)(Cc1cccs1)C1C(=O)Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc21 Homo sapiens CHEMBL866644 single protein format
CHEMBL3971598 OBDepict N NH 2 N N N N N N CH 3 H 3 C H 3 C F IC50 = 0.9 nM 448.55 Cc1cc(-c2cn(CCN(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F Homo sapiens CHEMBL3887297 single protein format
CHEMBL4441825 OBDepict HO H N H H H N H O F O F Cl N Cl CH 3 N IC50 = 0.98 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 CHEMBL4407340 assay 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 = 1.0 nM 425.49 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@H]3CCCNC3)c21 Homo sapiens CHEMBL1028117 single protein format
CHEMBL3919089 OBDepict F F F F N N N N N Cl N NH 2 IC50 = 1.0 nM 523.97 Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1Cl Homo sapiens CHEMBL3887297 single protein format
CHEMBL3941283 OBDepict O NH 2 N N N N N N F F F F IC50 = 1.0 nM 531.56 Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1C=O Homo sapiens CHEMBL3887297 single protein format
CHEMBL226148 OBDepict H N H 2 N H O N N Cl N H IC50 = 1.0 nM 417.9 N[C@H](COc1cncc(-c2ccc3[nH]nc(Cl)c3c2)c1)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL903964 single protein format
CHEMBL3900870 OBDepict H 3 C N S F F N N H N S F O IC50 = 1.0 nM 440.52 CC1Cc2c(ccc(F)c2F)N1C(=S)Cc1nc(N2CCOCC2)c(F)c(=S)[nH]1 Homo sapiens CHEMBL3887079 cell-based format
CHEMBL469590 OBDepict NH 2 N H O S Br N N H IC50 = 1.0 nM 455.38 NCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL605410 OBDepict N N H NH 2 H O NH 2 N N N CH 3 O N H 3 C N H IC50 = 1.0 nM 519.57 Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c(C#N)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1 Homo sapiens CHEMBL1072610 single protein format
CHEMBL595459 OBDepict H 2 N N O N H 3 C O H 2 N H N CH 3 N N H H IC50 = 1.0 nM 493.57 Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1cc2c(C)n[nH]c2cn1 Homo sapiens CHEMBL1072610 single protein format
CHEMBL595944 OBDepict NH 2 N O N H 3 C O H 2 N H N N CH 3 N N H H IC50 = 1.0 nM 494.56 Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1 Homo sapiens CHEMBL1072610 single protein format
CHEMBL593375 OBDepict NH 2 N O H 3 C O H 2 N H N N CH 3 N N H H IC50 = 1.0 nM 493.57 Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2c1 Homo sapiens CHEMBL1072610 single protein format
CHEMBL596583 OBDepict H 3 C O N N O N N CH 3 N H 2 N H H N H IC50 = 1.0 nM 479.54 Cc1occc1-c1ncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1 Homo sapiens CHEMBL1072610 single protein format
CHEMBL594072 OBDepict NH 2 N O N CH 3 O NH 2 H N N H 3 C N N H O NH 2 H IC50 = 1.0 nM 537.58 Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c(C(N)=O)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1 Homo sapiens CHEMBL1072610 single protein format
CHEMBL596072 OBDepict H N H 2 N H O N N O N CH 3 N H IC50 = 1.0 nM 464.53 Cc1n[nH]c2ncc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12 Homo sapiens CHEMBL1069941 single protein format
CHEMBL603197 OBDepict H N H 2 N H O N N N O N CH 3 N H IC50 = 1.0 nM 465.52 Cc1n[nH]c2cnc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12 Homo sapiens CHEMBL1069941 single protein format
CHEMBL594933 OBDepict H N H 2 N H O N N O N CH 3 N H IC50 = 1.0 nM 464.53 Cc1n[nH]c2cnc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12 Homo sapiens CHEMBL1069941 single protein format
CHEMBL3112850 OBDepict O N N N H Br N O O IC50 = 1.0 nM 419.28 O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)N1CCc2c(Br)cccc21 Homo sapiens CHEMBL3706189 cell-based 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 IC50 = 1.0 nM 447.5 CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(O[C@@H](CN)c3ccccc3)cc21 Homo sapiens CHEMBL1109952 single protein format
CHEMBL1258781 OBDepict Cl H 2 N H N O N N N Cl N H IC50 = 1.0 nM 419.32 N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3[nH]cc(Cl)c23)CC1 Homo sapiens CHEMBL1259574 single protein format
CHEMBL1632373 OBDepict Cl H 2 N H N O N N N H H 3 C S IC50 = 1.0 nM 417.97 C[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21 Homo sapiens CHEMBL1632819 single protein format
CHEMBL1632384 OBDepict CH 3 HN H 3 C H N O N Cl N N H H 3 C S IC50 = 1.0 nM 474.07 CC(C)NC[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2[C@H](C)SC3)CC1 Homo sapiens CHEMBL1632819 single protein format
CHEMBL488428 OBDepict H N N N N N H O N N O H IC50 = 1.0 nM 555.64 O=c1ccc(-c2nnc(C3CCN(Cc4ccc(-c5nc6cc[nH]c(=O)c6cc5-c5ccccc5)cc4)CC3)[nH]2)c[nH]1 Homo sapiens CHEMBL947431 single protein format
CHEMBL482536 OBDepict H 2 N N H H O S Br F F F N N H IC50 = 1.0 nM 523.38 NC[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL496690 OBDepict NH 2 N H H O S Br F N N H IC50 = 1.0 nM 473.37 NC[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL523586 OBDepict NH 2 N H H O S F Br N N H IC50 = 1.0 nM 473.37 NC[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL498052 OBDepict NH 2 N H H O F S Br N N H IC50 = 1.0 nM 473.37 NC[C@H](Cc1ccccc1F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL470598 OBDepict NH 2 N H H O S Br N N H IC50 = 1.0 nM 461.43 NC[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL1258664 OBDepict Cl NH 2 H N O N N N H 3 C N H IC50 = 1.0 nM 398.9 Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c12 Homo sapiens CHEMBL1259574 single protein format
CHEMBL470597 OBDepict NH 2 N H H O S Br N N H IC50 = 1.0 nM 455.38 NC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 Homo sapiens CHEMBL959242 single protein format
CHEMBL593813 OBDepict NH 2 N O N H 3 C O H 2 N H N N CH 3 N Cl N H H IC50 = 1.0 nM 529.0 Cc1occc1-c1nc(N)c(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1 Homo sapiens CHEMBL1072610 single protein format
CHEMBL4435124 OBDepict F H H HN NH O S N Cl H 3 C N ClH IC50 = 1.0 nM 455.39 Cl.Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)s1 Homo sapiens CHEMBL4307005 assay format
CHEMBL3356433 OBDepict NH 2 HN O N N O N CH 3 N H N O H 3 C CH 3 IC50 < 1.0 nM 451.53 Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12 Homo sapiens CHEMBL3615480 single protein format
CHEMBL210403 OBDepict H 3 C O NH 2 H O N N CH 3 N H Ki = 1.1 nM 438.53 COc1ccc2ccccc2c1C[C@H](N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1 Homo sapiens CHEMBL864940 single protein format
CHEMBL3922577 OBDepict O N H N N N S N N N N N IC50 = 1.1 nM 499.6 O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CC3CC3C2)cn1 Homo sapiens CHEMBL3887422 single protein format
CHEMBL574087 OBDepict CH 3 N N H N O H 2 N H N H IC50 = 1.15 nM 411.51 CCc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc12 Homo sapiens CHEMBL1049250 single protein format
CHEMBL210940 OBDepict H N H 3 C CH 3 O HN N O NH 2 H N H IC50 = 1.2 nM 519.65 CC(C)(Cc1cc[nH]c1)C1C(=O)Nc2ccc(-c3cncc(OC[C@@H](N)Cc4c[nH]c5ccccc45)c3)cc21 Homo sapiens CHEMBL866644 single protein format
CHEMBL227322 OBDepict F NH 2 H F F F O N N H 3 C N H IC50 = 1.2 nM 444.43 Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4cc(C(F)(F)F)ccc4F)c3)cc12 Homo sapiens CHEMBL889241 single protein format
CHEMBL572670 OBDepict H N N N H N O NH 2 H N H IC50 = 1.2 nM 448.53 N[C@H](COc1cncc(-c2ccc3[nH]nc(-c4ccc[nH]4)c3c2)c1)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL1049250 single protein format
CHEMBL226625 OBDepict H N N CH 3 N O H 2 N H F F F IC50 = 1.2 nM 426.44 Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(C(F)(F)F)c4)c3)cc12 Homo sapiens CHEMBL889241 single protein format
CHEMBL4451854 OBDepict F H H HN NH O S N Cl H 3 C N ClH IC50 = 1.26 nM 455.39 Cl.Cn1ncc(Cl)c1-c1csc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)c1 Homo sapiens CHEMBL4307005 assay format
CHEMBL227367 OBDepict F Br H 2 N H O N N CH 3 N H IC50 = 1.3 nM 455.33 Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4ccc(Br)c(F)c4)c3)cc12 Homo sapiens CHEMBL889241 single protein format
CHEMBL3701763 OBDepict H N N O N N NH 2 CH 3 OH IC50 = 1.3 nM 489.58 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(-c5cn[nH]c5)cc3-4)cc2)C1 Homo sapiens CHEMBL3705737 cell-based format
CHEMBL576733 OBDepict H N N S N O NH 2 H N H IC50 = 1.3 nM 465.58 N[C@H](COc1cncc(-c2ccc3[nH]nc(-c4cccs4)c3c2)c1)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL1049250 single protein format
CHEMBL3701776 OBDepict NH 2 O O N N NH 2 CH 3 OH IC50 = 1.3 nM 466.54 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(N)=O)ccc3-4)cc2)C1 Homo sapiens CHEMBL3705737 cell-based format
CHEMBL3966203 OBDepict N NH 2 N N N N N N N Cl F IC50 = 1.3 nM 481.97 N#Cc1c(N)ncnc1N1CCC(c2nc(-c3cnc(F)c(Cl)c3)cn2CCN2CCC2)CC1 Homo sapiens CHEMBL3887297 single protein format
CHEMBL383264 OBDepict H N NH 2 H O N N IC50 = 1.3 nM 394.48 N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12 Homo sapiens CHEMBL862611 single protein format
CHEMBL4440965 OBDepict H 3 C NH O H HN H H NH O F O F Cl N Cl CH 3 N IC50 = 1.37 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 CHEMBL4407340 assay format
CHEMBL3954981 OBDepict N NH 2 N N N N N N H H 3 C F CH 3 H 3 C IC50 = 1.4 nM 476.6 Cc1cc(-c2cn(CCNCC(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F Homo sapiens CHEMBL3887297 single protein format
CHEMBL3890352 OBDepict O NH 2 N N N N N N F F F F IC50 = 1.4 nM 517.53 Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1C=O Homo sapiens CHEMBL3887297 single protein format
CHEMBL3701753 OBDepict CH 3 OH H 2 N N N O N IC50 = 1.4 nM 424.5 CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)C1 Homo sapiens CHEMBL3705737 cell-based format
CHEMBL575811 OBDepict O N H O N O H 2 N H IC50 = 1.4 nM 439.52 N[C@H](COc1cncc(-c2ccc3c(c2)C(Cc2ccco2)C(=O)N3)c1)Cc1ccccc1 Homo sapiens CHEMBL1049250 single protein format
CHEMBL3948454 OBDepict CH 3 HN N N N N F F F N Cl N H 2 N IC50 = 1.4 nM 480.93 CNCCn1cc(-c2ccnc(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2Cl)CC1 Homo sapiens CHEMBL3887297 single protein format
CHEMBL3893968 OBDepict N H 3 C N N N N HN O N S N N N H 3 C H F F F IC50 = 1.4 nM 568.59 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(C#N)C3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3887422 single protein format
CHEMBL226849 OBDepict O N H O N O H 2 N H IC50 = 1.4 nM 437.5 N[C@H](COc1cncc(-c2ccc3c(c2)/C(=Cc2ccco2)C(=O)N3)c1)Cc1ccccc1 Homo sapiens CHEMBL889241 single protein format
CHEMBL3701752 OBDepict OH NH 2 N N O N IC50 = 1.4 nM 450.54 NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ncccc3-4)cc2)CC(O)(C2CC2)C1 Homo sapiens CHEMBL3705737 cell-based format
CHEMBL4554668 OBDepict OH NH O H N H H H N H O Cl O Cl Cl N Cl CH 3 N IC50 = 1.41 nM 589.31 Cn1ncc(Cl)c1-c1cc(C(=O)N[C@@H]2CN[C@H](CC(=O)NCCO)C[C@H]2c2ccc(Cl)c(Cl)c2)oc1Cl Homo sapiens CHEMBL4407340 assay format
CHEMBL3640741 OBDepict CH 3 HN O N N N N NH 2 N NH 2 IC50 = 1.44 nM 572.72 CC(=O)NC1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1 Homo sapiens CHEMBL3705709 single protein format