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Q00535 | CDK5_HUMAN | Cyclin-dependent kinase 5 (CDK5)

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
CHEMBL4292930 OBDepict OH H N N N H N N H 3 C + N _ O IC50 = 1.0 nM 382.47 Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@@H]3CCO)nc12 Homo sapiens CHEMBL4271331 cell-based format
CHEMBL3775792 OBDepict H 3 C CH 3 N N N H HN N NH OH CH 3 H 3 C N IC50 = 1.0 nM 431.54 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC(C)(C)O)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL1944698 OBDepict H 3 C N N H O N N IC50 = 3.0 nM 372.47 CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 Homo sapiens CHEMBL3856552 single protein format
CHEMBL362560 OBDepict CH 3 O N H N O N H N H O N H O OH IC50 = 5.0 nM 469.46 COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4ccc(O)cc4)cccc2-3)cc1 Homo sapiens CHEMBL1250278 single protein format
CHEMBL186342 OBDepict O HN N H N S N IC50 = 5.0 nM 324.41 O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2ccncc12 Homo sapiens CHEMBL832348 single protein format
CHEMBL1241758 OBDepict O N H N H N H N IC50 = 5.0 nM 306.37 O=C(Nc1cc(C2CCC2)c[nH]1)Nc1cccc2ccncc12 Homo sapiens CHEMBL1250278 single protein format
CHEMBL3774632 OBDepict H 3 C OH HN N N N H N N H CH 3 CH 3 N IC50 = 5.0 nM 417.52 CC(O)CNc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]nc(C(C)C)c2n1 Homo sapiens CHEMBL3777412 single protein format
CHEMBL3775509 OBDepict H 3 C CH 3 N N N H N N N H O N IC50 = 5.0 nM 429.53 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCOCC3)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL186898 OBDepict O N H N S N N H IC50 = 7.0 nM 312.4 O=C(Cc1ccc2[nH]cnc2c1)Nc1ncc(C2CCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL3775470 OBDepict NH 2 N H N N N H N N H CH 3 H 3 C N IC50 = 8.0 nM 402.51 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(NCCN)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL364213 OBDepict O HN N H N S N IC50 = 8.0 nM 324.41 O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2cnccc12 Homo sapiens CHEMBL832348 single protein format
CHEMBL3774932 OBDepict CH 3 HN OH N N N H N N H CH 3 CH 3 N IC50 = 9.0 nM 431.54 CCC(CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]nc(C(C)C)c2n1 Homo sapiens CHEMBL3777412 single protein format
CHEMBL363954 OBDepict O N H N S N IC50 = 10.0 nM 323.42 O=C(Cc1ccc2ncccc2c1)Nc1ncc(C2CCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL4442620 OBDepict H HO CH 3 O CH 3 H N N N H F F F S O NH IC50 < 10.0 nM 430.45 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F Homo sapiens CHEMBL4701386 single protein format
CHEMBL186470 OBDepict O N H N S S N CH 3 IC50 = 12.0 nM 343.48 Cc1nc2ccc(CC(=O)Nc3ncc(C4CCC4)s3)cc2s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL445813 OBDepict H N N NH HN O O Cl Cl NH IC50 = 13.0 nM 382.25 O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL4701386 single protein format
CHEMBL187256 OBDepict O HN N H N S N IC50 = 13.0 nM 324.41 O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2ncccc12 Homo sapiens CHEMBL832348 single protein format
CHEMBL187903 OBDepict O N H N N S N CH 3 CH 3 IC50 = 13.0 nM 340.45 Cc1cc2ncn(CC(=O)Nc3ncc(C4CCC4)s3)c2cc1C Homo sapiens CHEMBL832348 single protein format
CHEMBL184404 OBDepict O N H N S N IC50 = 13.0 nM 323.42 O=C(Cc1cccc2cnccc12)Nc1ncc(C2CCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL186240 OBDepict O N H N S N H IC50 = 16.0 nM 311.41 O=C(Cc1c[nH]c2ccccc12)Nc1ncc(C2CCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL3775608 OBDepict OH NH 2 HN N N N H N N H H 3 C CH 3 N IC50 = 17.0 nM 432.53 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC(N)CO)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL4764173 OBDepict CH 3 HN H OH H 3 C H N N N H N N H 3 C H 3 C IC50 = 21.0 nM 368.49 CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O Homo sapiens CHEMBL4701386 single protein format
CHEMBL3775677 OBDepict OH OH HN N N N H N N H H 3 C CH 3 N IC50 = 21.0 nM 433.52 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC(O)CO)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL3655762 OBDepict H 3 C NH H HO CH 3 H N N N H N N CH 3 CH 3 N CH 3 H 3 C IC50 = 23.0 nM 397.53 CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O Homo sapiens CHEMBL4408769 single protein format
CHEMBL365855 OBDepict O N H N S IC50 = 25.0 nM 272.37 O=C(Cc1ccccc1)Nc1ncc(C2CCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL361708 OBDepict NH 2 N N H O HN N Br O H IC50 = 30.0 nM 324.14 NC1=NC(=O)/C(=C2CCNC(=O)c3[nH]c(Br)cc32)N1 Homo sapiens CHEMBL3072654 single protein format
CHEMBL1234833 OBDepict OH HN H HO H OH N N H N N H 3 C H 3 C IC50 = 30.0 nM 385.47 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 Homo sapiens CHEMBL4408769 single protein format
CHEMBL4846069 OBDepict H 3 C O N H O N N H IC50 = 32.0 nM 285.35 COc1ccc(CC(=O)Nc2cc(C3CCC3)[nH]n2)cc1 Homo sapiens CHEMBL4822304 single protein format
CHEMBL424696 OBDepict O N N S N N H N IC50 = 34.0 nM 353.45 c1ccc(Nc2ncc(-c3ccnc(OC4CCCCC4)n3)s2)nc1 Homo sapiens CHEMBL870943 single protein format
CHEMBL3774979 OBDepict OH N N N N H N N H CH 3 H 3 C N IC50 = 37.0 nM 471.61 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCCCC3CCO)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL50894 OBDepict O HN N H + N O _ O IC50 = 40.0 nM 293.28 O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1 Homo sapiens CHEMBL1250278 single protein format
CHEMBL186371 OBDepict O HN N H N S N N N H IC50 = 41.0 nM 314.37 O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2[nH]nnc12 Homo sapiens CHEMBL832348 single protein format
CHEMBL187015 OBDepict O HN N H N S N IC50 = 44.0 nM 324.41 O=C(Nc1ccc2ncccc2c1)Nc1ncc(C2CCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL359591 OBDepict O HN N H N S N IC50 = 44.0 nM 324.41 O=C(Nc1ccc2cnccc2c1)Nc1ncc(C2CCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL3775223 OBDepict H 3 C CH 3 N N N H N N H N H H H NH 2 N IC50 = 44.0 nM 456.6 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@@H]3CCCC[C@H]3N)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL2103840 OBDepict HO H N N N H N N H 3 C + N _ O IC50 = 45.0 nM 396.5 CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL364338 OBDepict O N H N N S IC50 = 48.0 nM 311.41 O=C(Cn1ccc2ccccc21)Nc1ncc(C2CCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL3775502 OBDepict OH N H N N N H N N H CH 3 H 3 C N IC50 = 49.0 nM 403.49 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(NCCO)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL235764 OBDepict O N H N S N IC50 = 54.0 nM 305.36 O=c1[nH]c2ccccc2cc1-c1csc(-c2ccncc2)n1 Homo sapiens CHEMBL1043895 single protein format
CHEMBL186511 OBDepict O N H N S IC50 = 64.0 nM 286.4 O=C(Cc1ccccc1)Nc1ncc(C2CCCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL426972 OBDepict O N H N S CH 3 CH 3 IC50 = 64.0 nM 260.36 CC(C)c1cnc(NC(=O)Cc2ccccc2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL258805 OBDepict CH 3 O N H O N N H IC50 = 65.0 nM 241.25 COc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2 Homo sapiens CHEMBL1250278 single protein format
CHEMBL240799 OBDepict O N H N N S N IC50 = 79.0 nM 308.37 O=C1Nc2ccccc2CN1c1csc(-c2ccncc2)n1 Homo sapiens CHEMBL1043895 single protein format
CHEMBL1080583 OBDepict H 3 C N H HO N N HN N N H 3 C CH 3 N IC50 = 80.0 nM 417.52 CCC(CO)Nc1nc(Nc2cccc(-c3ccccn3)c2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL1111501 single protein format
CHEMBL409450 OBDepict HO N N H O HN Br IC50 = 83.0 nM 356.18 O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=NO Homo sapiens CHEMBL1108604 single protein format
CHEMBL185734 OBDepict CH 3 S S N N H O IC50 = 91.0 nM 264.37 CSc1cnc(NC(=O)Cc2ccccc2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL186510 OBDepict O N H NH N S CH 3 CH 3 IC50 = 102.0 nM 261.35 CC(C)c1cnc(NC(=O)Nc2ccccc2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL115220 OBDepict O N H N H N IC50 = 114.0 nM 291.35 O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CC2)n[nH]1 Homo sapiens CHEMBL1250278 single protein format
CHEMBL3775681 OBDepict H 3 C CH 3 N N N H N N N H S N IC50 = 114.0 nM 445.6 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCSCC3)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL3774949 OBDepict H 3 C CH 3 N N N H N N N H HN N IC50 = 119.0 nM 428.54 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCNCC3)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL577030 OBDepict CH 3 O O CH 3 N H N O S N IC50 = 131.0 nM 341.39 CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(=O)[nH]c1C Homo sapiens CHEMBL1043895 single protein format
CHEMBL52387 OBDepict CH 3 HN OH N N N H N N H 3 C H 3 C IC50 = 160.0 nM 354.46 CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL3085252 OBDepict HO H N N N N H N N CH 3 H 3 C I IC50 = 160.0 nM 492.37 CC(C)n1cnc2c(NCc3cccc(I)c3)nc(N3CCC[C@@H]3CO)nc21 Homo sapiens CHEMBL665006 single protein format
CHEMBL14762 OBDepict CH 3 N H H OH N N HN N N CH 3 H 3 C IC50 = 160.0 nM 354.46 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL1250278 single protein format
CHEMBL3775606 OBDepict H 3 C CH 3 N N N H N S NH O O CH 3 N IC50 = 165.0 nM 422.51 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(S(C)(=O)=O)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL428690 OBDepict CH 3 N H HO H OH O OH O Cl IC50 = 170.0 nM 401.85 CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 Homo sapiens CHEMBL4348718 single protein format
CHEMBL3774503 OBDepict CH 3 H 3 C N N N H N N H N H H H NH 2 N IC50 = 179.0 nM 456.6 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL3774434 OBDepict CH 3 H 3 C N N N H N HN N IC50 = 183.0 nM 344.42 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)ncnc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL185470 OBDepict O N H HN N S IC50 = 183.0 nM 273.36 O=C(Nc1ccccc1)Nc1ncc(C2CCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL363283 OBDepict O HN N H N S N N H IC50 = 190.0 nM 313.39 O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2c[nH]nc12 Homo sapiens CHEMBL832348 single protein format
CHEMBL2321958 OBDepict OH N N H O N O HO CH 3 Br IC50 = 200.0 nM 414.22 CN1C(=O)/C(=C2Nc3ccc(C(=O)O)cc3C2=N/O)c2cccc(Br)c21 Homo sapiens CHEMBL2329086 single protein format
CHEMBL2321948 OBDepict OH N N H O O HN Br IC50 = 200.0 nM 384.19 O=C1Nc2c(Br)cccc2/C1=C1/Nc2ccc(/C=N/O)cc2C1=O Homo sapiens CHEMBL2329086 single protein format
CHEMBL4303287 OBDepict CH 3 N H 3 C N H O N H O NH N N Cl N H IC50 = 222.0 nM 566.07 CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1 Homo sapiens CHEMBL4403342 single protein format
CHEMBL518800 OBDepict H 3 C NH H OH N N N H N N CH 3 CH 3 N IC50 = 225.0 nM 431.54 CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL3777412 single protein format
CHEMBL3775479 OBDepict CH 3 S N N NH N N H H 3 C CH 3 N IC50 = 229.0 nM 390.52 CSc1nc(NCc2ccc(-c3ccccn3)cc2)c2[nH]nc(C(C)C)c2n1 Homo sapiens CHEMBL3777412 single protein format
CHEMBL24484 OBDepict CH 3 HO CH 3 N N HN N N CH 3 H 3 C Cl IC50 = 230.0 nM 397.91 CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL4579344 OBDepict CH 3 N H 3 C N H N N N N H N H 3 C H CH 3 H 3 C OH H 3 C H IC50 = 232.0 nM 383.5 Cc1cc(C)c(CNc2nc(N[C@@H](C)[C@@H](C)O)nc3c2ncn3C(C)C)cn1 Homo sapiens CHEMBL4346798 single protein format
CHEMBL23525 OBDepict CH 3 OH CH 3 N N N H N N CH 3 CH 3 N CH 3 H 3 C IC50 = 260.0 nM 406.53 CCC(C)(O)C#Cc1nc(NCc2ccc(N(C)C)cc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL284899 OBDepict H 3 C HO H 3 C N N N H N N H 3 C CH 3 IC50 = 300.0 nM 349.44 CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL286491 OBDepict CH 3 HO CH 3 N N HN N N CH 3 H 3 C O O IC50 = 300.0 nM 407.47 CCC(C)(O)C#Cc1nc(NCc2ccc3c(c2)OCO3)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL23317 OBDepict H 3 C HO H 3 C N N N H N N H 3 C CH 3 O CH 3 IC50 = 300.0 nM 379.46 CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL363711 OBDepict H 3 C CH 3 N H O N S CH 3 H 3 C IC50 = 321.0 nM 212.32 CC(C)C(=O)Nc1ncc(C(C)C)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL133461 OBDepict CH 3 N H N N N N CH 3 H 3 C OH H 3 C IC50 = 340.0 nM 391.52 CCCCNc1nc(C#CC(C)(O)Cc2ccccc2)nc2c1ncn2C(C)C Homo sapiens CHEMBL665006 single protein format
CHEMBL26564 OBDepict CH 3 HO CH 3 N N HN N N CH 3 H 3 C IC50 = 340.0 nM 363.47 CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL186846 OBDepict O N H N S IC50 = 390.0 nM 300.43 O=C(Cc1ccccc1)Nc1ncc(C2CCCCC2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL131697 OBDepict CH 3 NH OH N N N H N N CH 3 H 3 C IC50 = 400.0 nM 368.49 CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL280623 OBDepict CH 3 O N H N N N N CH 3 H 3 C OH H 3 C H 3 C IC50 = 400.0 nM 393.49 CCOc1ccc(Nc2nc(C#CC(C)(O)CC)nc3c2ncn3C(C)C)cc1 Homo sapiens CHEMBL665006 single protein format
CHEMBL2321964 OBDepict OH N N H O NH OH Br IC50 = 400.0 nM 386.2 O=C1Nc2c(Br)cccc2/C1=C1/Nc2ccc(CO)cc2/C1=NO Homo sapiens CHEMBL2329086 single protein format
CHEMBL422759 OBDepict CH 3 HO CH 3 N N HN N N CH 3 H 3 C O CH 3 IC50 = 400.0 nM 393.49 CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL884356 single protein format
CHEMBL2205426 OBDepict O O N H N H CH 3 H 3 C CH 3 N N N H N Ki = 416.0 nM 414.47 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O Homo sapiens CHEMBL2210944 single protein format
CHEMBL3775467 OBDepict HO N N N N HN N N H CH 3 H 3 C N IC50 = 422.0 nM 472.6 CC(C)c1n[nH]c2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCN(CCO)CC3)nc12 Homo sapiens CHEMBL3777412 single protein format
CHEMBL225519 OBDepict O NH N H N IC50 = 460.0 nM 213.24 O=C1NCCc2[nH]c(-c3ccncc3)cc21 Homo sapiens CHEMBL1226915 single protein format
CHEMBL319467 OBDepict H N N N N H N O S O O NH 2 IC50 = 480.0 nM 402.48 NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 Homo sapiens CHEMBL4004952 single protein format
CHEMBL282193 OBDepict CH 3 OH CH 3 N N N H N N CH 3 H 3 C Cl IC50 = 500.0 nM 383.88 CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL25840 OBDepict H 3 C OH H 3 C N N NH N N H 3 C CH 3 Cl Cl IC50 = 500.0 nM 432.36 CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL884356 single protein format
CHEMBL3085251 OBDepict OH H N N N N H N N IC50 = 500.0 nM 392.51 OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL26513 OBDepict CH 3 OH CH 3 N N N H N N CH 3 H 3 C Cl Cl IC50 = 500.0 nM 418.33 CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL2321951 OBDepict CH 3 O O N H N HO O HN IC50 = 520.0 nM 335.32 COC(=O)c1ccc2c(c1)C(=NO)/C(=C1/C(=O)Nc3ccccc31)N2 Homo sapiens CHEMBL2329086 single protein format
CHEMBL2321952 OBDepict OH N N H O NH O HO IC50 = 530.0 nM 321.29 O=C1Nc2ccccc2/C1=C1/Nc2ccc(C(=O)O)cc2/C1=NO Homo sapiens CHEMBL2329086 single protein format
CHEMBL2321965 OBDepict OH N N H N OH O NH Br IC50 = 600.0 nM 399.2 O=C1Nc2c(Br)cccc2/C1=C1/Nc2ccc(/C=NO)cc2/C1=NO Homo sapiens CHEMBL2329086 single protein format
CHEMBL281525 OBDepict CH 3 HO H 3 C N N N H N N H 3 C H 3 C O O H 3 C CH 3 IC50 = 600.0 nM 423.52 CCC(C)(O)C#Cc1nc(NCc2ccc(OC)c(OC)c2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL665006 single protein format
CHEMBL185498 OBDepict CH 3 S N N H O IC50 = 621.0 nM 246.34 CCc1cnc(NC(=O)Cc2ccccc2)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL4294760 OBDepict CH 3 S N N N N N H N O CH 3 N CH 3 CH 3 IC50 = 680.0 nM 449.58 CSc1ncc2c(n1)CCc1cnc(Nc3ccc(C(=O)N(C)CCN(C)C)cc3)nc1-2 Homo sapiens CHEMBL4267425 single protein format
CHEMBL2112678 OBDepict OH NH H 3 C H N N N H N N CH 3 H 3 C IC50 = 700.0 nM 340.43 CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](C)CO)nc21 Homo sapiens CHEMBL665006 single protein format
CHEMBL186201 OBDepict O N H N S Br IC50 = 900.0 nM 297.18 O=C(Cc1ccccc1)Nc1ncc(Br)s1 Homo sapiens CHEMBL832348 single protein format
CHEMBL103667 OBDepict O HN N H N N CH 3 CH 3 CH 3 O H 3 C N O IC50 < 1000.0 nM 527.67 Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 Homo sapiens CHEMBL4602912 single protein format