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P49841 | GSK3B_HUMAN | Glycogen synthase kinase-3 beta (GSK3B)

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
CHEMBL2386094 OBDepict F N N N O O HN O O O IC50 = 0.013 nM 514.51 O=C1NC(=O)C(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCOCC2)CC3)=C1c1coc2ccccc12 Homo sapiens CHEMBL2390763 single protein format
CHEMBL461262 OBDepict Cl Cl N HN N N N H HN N + N O _ O Ki = 0.09 nM 471.31 O=[N+]([O-])c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1 Homo sapiens CHEMBL1034478 single protein format
CHEMBL3895998 OBDepict NH 2 N NH N O N H 2 N N F IC50 = 0.1 nM 407.45 Nc1ncc(-c2ccccc2F)nc1C(=O)Nc1cnccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889160 organism-based format
CHEMBL4084855 OBDepict CH 3 O N N H H 3 C N N CH 3 O N N IC50 = 0.1 nM 392.46 COc1ccc(N2CCN(c3nc(-c4ccncn4)cc(=O)n3C)[C@H](C)C2)cc1 Homo sapiens CHEMBL4057839 single protein format
CHEMBL564450 OBDepict H 3 C O O O N H O N N N H 3 C IC50 = 0.14 nM 484.56 COc1cc(C2=C(c3cn(CCN4CCN(C)CC4)c4ccccc34)C(=O)NC2=O)c2occc2c1 Homo sapiens CHEMBL1034478 single protein format
CHEMBL3963605 OBDepict H 2 N N HN N O N NH 2 N IC50 = 0.2 nM 389.46 Nc1ncc(-c2ccccc2)nc1C(=O)Nc1cnccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889160 organism-based format
CHEMBL3957649 OBDepict O N H N NH 2 N N N F N H IC50 = 0.2 nM 393.43 Nc1ncc(-c2ccccc2F)nc1C(=O)Nc1cnccc1N1CCNCC1 Homo sapiens CHEMBL3889160 organism-based format
CHEMBL4077376 OBDepict F N N H CH 3 N N H 3 C O N N IC50 = 0.2 nM 380.43 C[C@@H]1CN(c2ccccc2F)CCN1c1nc(-c2ccncn2)cc(=O)n1C Homo sapiens CHEMBL4057839 single protein format
CHEMBL3942619 OBDepict CH 3 O N N H 2 N NH O N N NH 2 IC50 = 0.2 nM 419.49 COc1ccc(-c2cnc(N)c(C(=O)Nc3cnccc3N3CCC(N)CC3)n2)cc1 Homo sapiens CHEMBL3889160 organism-based format
CHEMBL2386090 OBDepict O HN O N O N O N N IC50 = 0.2 nM 489.49 O=C1NC(=O)C(c2cn3c4c(cccc24)CN(C(=O)c2cnccn2)CC3)=C1c1coc2ccccc12 Homo sapiens CHEMBL2390763 single protein format
CHEMBL4063206 OBDepict CH 3 O N N H H 3 C N N CH 3 O N N IC50 = 0.2 nM 392.46 COc1cccc(N2CCN(c3nc(-c4ccncn4)cc(=O)n3C)[C@H](C)C2)c1 Homo sapiens CHEMBL4057839 single protein format
CHEMBL2177173 OBDepict CH 3 N N S O O N N H 2 N N H O N N Ki = 0.22 nM 536.66 CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cnccc4CN4CCCC4)n3)cc2)CC1 Homo sapiens CHEMBL2182637 single protein format
CHEMBL491647 OBDepict CH 3 O N CH 3 O N H O O IC50 = 0.23 nM 386.41 COCc1cccc2c(C3=C(c4coc5ccccc45)C(=O)NC3=O)cn(C)c12 Homo sapiens CHEMBL963374 single protein format
CHEMBL3091542 OBDepict H 3 C O O H O CH 3 N N N H 3 C O N N IC50 = 0.23 nM 409.45 COc1cccc(OC)c1[C@H]1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCO1 Homo sapiens CHEMBL3097776 single protein format
CHEMBL4076186 OBDepict CH 3 O F NH N N N CH 3 O N N ClH IC50 = 0.25 nM 432.89 COc1cc(F)ccc1C1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCN1.Cl Homo sapiens CHEMBL4057861 single protein format
CHEMBL3410091 OBDepict O NH N S N O O NH 2 IC50 = 0.29 nM 358.42 NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OCC1CC1 Homo sapiens CHEMBL3413879 single protein format
CHEMBL477038 OBDepict OH O O N H O N H 3 C F IC50 = 0.35 nM 390.37 Cn1cc(C2=C(c3coc4cc(CO)ccc34)C(=O)NC2=O)c2cc(F)ccc21 Homo sapiens CHEMBL963374 single protein format
CHEMBL3410092 OBDepict O HN N N S O O H 2 N IC50 = 0.37 nM 358.42 NC(=O)c1sc(-c2ccnc(NC(=O)C3CC3)c2)nc1OC1CCC1 Homo sapiens CHEMBL3413879 single protein format
CHEMBL4087402 OBDepict CH 3 O F NH N N N CH 3 O N ClH IC50 = 0.4 nM 431.9 COc1cc(F)ccc1C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1.Cl Homo sapiens CHEMBL4057861 single protein format
CHEMBL4076060 OBDepict F N N H CH 3 N N H 3 C O N N IC50 = 0.4 nM 380.43 C[C@@H]1CN(c2ccc(F)cc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C Homo sapiens CHEMBL4057839 single protein format
CHEMBL1082153 OBDepict HO HO NH O N H O N CH 3 Cl IC50 = 0.4 nM 425.87 Cn1cc(C2=C(c3cccc(NCC(O)CO)c3)C(=O)NC2=O)c2cc(Cl)ccc21 Homo sapiens CHEMBL1102983 single protein format
CHEMBL2177163 OBDepict O N H N NH 2 N N S N O O Ki = 0.4 nM 438.51 Nc1ncc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C(=O)Nc1cccnc1 Homo sapiens CHEMBL2182637 single protein format
CHEMBL1088145 OBDepict CH 3 O N H N O HN N O O CH 3 H 3 C Ki = 0.4 nM 354.37 COc1cccc(N/N=C2C(=O)NN=C2c2ccc(OC)c(OC)c2)c1 Homo sapiens CHEMBL1102102 single protein format
CHEMBL1088011 OBDepict CH 3 O O CH 3 N N H N N H O Cl Ki = 0.4 nM 358.79 COc1ccc(C2=NNC(=O)/C2=NNc2cccc(Cl)c2)cc1OC Homo sapiens CHEMBL1102102 single protein format
CHEMBL3410090 OBDepict H 3 C O CH 3 N S O H 2 N N N H O IC50 = 0.45 nM 346.41 CC(C)Oc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(N)=O Homo sapiens CHEMBL3413879 single protein format
CHEMBL2182002 OBDepict CH 3 N N S O O H 3 C N N H 2 N NH O N Ki = 0.46 nM 467.56 Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1 Homo sapiens CHEMBL2182637 single protein format
CHEMBL3091541 OBDepict H 3 C O F H O N N N H 3 C O N N IC50 = 0.47 nM 397.41 COc1cc(F)ccc1[C@H]1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCO1 Homo sapiens CHEMBL3097776 single protein format
CHEMBL2177174 OBDepict H 3 C N H 3 C NH N O N H 2 N N S N O O Ki = 0.48 nM 481.58 CN(C)Cc1ccncc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1N Homo sapiens CHEMBL2182637 single protein format
CHEMBL4095848 OBDepict F N N H H 3 C N N CH 3 O N N IC50 = 0.5 nM 380.43 C[C@@H]1CN(c2cccc(F)c2)CCN1c1nc(-c2ccncn2)cc(=O)n1C Homo sapiens CHEMBL4057839 single protein format
CHEMBL4468662 OBDepict H 3 C O N H N HN O N IC50 = 0.508 nM 384.44 COc1ccc(-c2c[nH]c3ncc(/C=C/C(=O)NCc4ccncc4)cc23)cc1 Homo sapiens CHEMBL4431132 single protein format
CHEMBL489833 OBDepict OH O O N H O N H 3 C Br IC50 = 0.51 nM 451.28 Cn1cc(C2=C(c3coc4cc(CO)ccc34)C(=O)NC2=O)c2cc(Br)ccc21 Homo sapiens CHEMBL963374 single protein format
CHEMBL2386093 OBDepict F N N N O O NH O O N IC50 = 0.53 nM 595.68 O=C1NC(=O)C(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCC(N4CCCCC4)CC2)CC3)=C1c1coc2ccccc12 Homo sapiens CHEMBL2390763 single protein format
CHEMBL1080901 OBDepict Cl Cl N NH N N N H NH N H 2 N + N O _ O IC50 = 0.56 nM 486.32 Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-] Homo sapiens CHEMBL1102983 single protein format
CHEMBL1940976 OBDepict N N O H CH 3 NH 2 O F N H N H N IC50 = 0.57 nM 394.41 C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C#N)cn1c23 Homo sapiens CHEMBL1944323 single protein format
CHEMBL2386091 OBDepict O N N N O NH O O IC50 = 0.59 nM 502.53 O=C1NC(=O)C(c2cn3c4c(cccc24)CN(C(=O)Cc2ccncc2)CC3)=C1c1coc2ccccc12 Homo sapiens CHEMBL2390763 single protein format
CHEMBL3185148 OBDepict Cl Cl N N HN N N HN N NH 2 + N O _ O IC50 = 0.6 nM 486.32 Nc1nc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-] Homo sapiens CHEMBL4022757 single protein format
CHEMBL1082152 OBDepict HO HO NH O N H O N CH 3 F IC50 = 0.6 nM 409.42 Cn1cc(C2=C(c3cccc(NCC(O)CO)c3)C(=O)NC2=O)c2cc(F)ccc21 Homo sapiens CHEMBL1102983 single protein format
CHEMBL1940990 OBDepict N N O H CH 3 NH 2 O F N H N IC50 = 0.6 nM 393.42 C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c(=O)c(C#N)cn1c23 Homo sapiens CHEMBL1944323 single protein format
CHEMBL3091544 OBDepict F Cl H O N N N H 3 C O N N IC50 = 0.64 nM 401.83 Cn1c(N2CCO[C@@H](c3c(F)cccc3Cl)C2)nc(-c2ccncn2)cc1=O Homo sapiens CHEMBL3097776 single protein format
CHEMBL2177165 OBDepict O N H N NH 2 N N S N O O O Ki = 0.67 nM 440.49 Nc1ncc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1C(=O)Nc1cccnc1 Homo sapiens CHEMBL2182637 single protein format
CHEMBL270265 OBDepict H 3 C N H N N O N N H H 3 C Br N IC50 = 0.7 nM 425.29 CCCC1=C(c2nnc(C)o2)C(c2cccc(C#N)c2Br)c2c[nH]nc2N1 Homo sapiens CHEMBL929988 single protein format
CHEMBL490636 OBDepict CH 3 O N CH 3 O N H O O HO IC50 = 0.73 nM 416.43 COCc1cccc2c(C3=C(c4coc5cc(CO)ccc45)C(=O)NC3=O)cn(C)c12 Homo sapiens CHEMBL963374 single protein format
CHEMBL4084151 OBDepict O NH O N N O N N IC50 = 0.73 nM 423.43 O=C1NC(=O)C(c2cn(CCC3N=CC=N3)c3ccccc23)=C1c1noc2ccccc12 Homo sapiens CHEMBL4041845 assay format
CHEMBL4802108 OBDepict H 3 C N N O N H O N O IC50 = 0.73 nM 436.47 CCCn1cnc(C2C=C(C3=C(c4noc5ccccc45)C(=O)NC3=O)c3ccccc32)c1 Homo sapiens CHEMBL4258150 single protein format
CHEMBL4758595 OBDepict N H N H CH 3 O O H H N H N N H O N O CH 3 Ki = 0.78 nM 438.49 COc1ccc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4C[C@@H](C#N)[C@@H]4C)C3)[nH]n2)cn1 Homo sapiens CHEMBL4672955 cell-based format
CHEMBL260417 OBDepict O N H N N H N Br HO IC50 = 0.8 nM 373.21 O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)c(Br)cc12)C1CC1 Homo sapiens CHEMBL930273 single protein format
CHEMBL4856177 OBDepict H 3 C N N N N H N N N N CH 3 H 3 C CH 3 IC50 = 0.8 nM 492.63 CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ccnc5c4)n3)ccc2nn1C Homo sapiens CHEMBL4830410 single protein format
CHEMBL4065818 OBDepict H 3 C O N N H H 3 C N N CH 3 O N N IC50 = 0.8 nM 392.46 COc1ccccc1N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1 Homo sapiens CHEMBL4057839 single protein format
CHEMBL260138 OBDepict N NH N H O + N O _ O IC50 = 0.8 nM 346.35 N#CCCc1ccc2c(c1)-c1[nH]c3ccc([N+](=O)[O-])cc3c1CC(=O)N2 Homo sapiens CHEMBL937654 single protein format
CHEMBL1080902 OBDepict CH 3 O N N H N N H O O H 3 C Ki = 0.8 nM 324.34 COc1ccc(C2=NNC(=O)/C2=NNc2cccc(OC)c2)cc1 Homo sapiens CHEMBL1102102 single protein format
CHEMBL3410111 OBDepict H 3 C O CH 3 N N O NH 2 N N H O IC50 = 0.83 nM 341.37 CC(C)Oc1nc(-c2ccnc(NC(=O)C3CC3)c2)ncc1C(N)=O Homo sapiens CHEMBL3413879 single protein format
CHEMBL1940981 OBDepict N N O H CH 3 NH 2 O F N H N N IC50 = 0.86 nM 382.4 C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c(=O)c(C#N)cn1c23 Homo sapiens CHEMBL1944323 single protein format
CHEMBL2386272 OBDepict Br N H 3 C O N H O N N IC50 = 0.87 nM 421.25 Cn1cc(C2=C(c3cnc4ccccn34)C(=O)NC2=O)c2cc(Br)ccc21 Homo sapiens CHEMBL2390763 single protein format
CHEMBL3091540 OBDepict CH 3 O H O N N N CH 3 O N N IC50 = 0.87 nM 379.42 COc1ccccc1[C@H]1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCO1 Homo sapiens CHEMBL3097776 single protein format
CHEMBL4764153 OBDepict H 3 C O N N H O N N H H H O N O CH 3 CH 3 Ki = 0.95 nM 427.51 COc1ccc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1 Homo sapiens CHEMBL4672955 cell-based format
CHEMBL522590 OBDepict OH O O N H O N H 3 C F Cl IC50 = 0.95 nM 424.82 Cn1cc(C2=C(c3coc4cc(CO)ccc34)C(=O)NC2=O)c2cc(F)c(Cl)cc21 Homo sapiens CHEMBL963374 single protein format
CHEMBL2177177 OBDepict CH 3 N N S O O N N H 2 N N H O N S N Ki = 0.99 nM 460.55 CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4ncns4)n3)cc2)CC1 Homo sapiens CHEMBL2182637 single protein format
CHEMBL261129 OBDepict CH 3 N N H O N N H N Br HO IC50 = 1.0 nM 430.31 CN1CCC(C(=O)Nc2n[nH]c3nc(-c4ccc(O)cc4)c(Br)cc23)CC1 Homo sapiens CHEMBL930273 single protein format
CHEMBL260664 OBDepict O N H N N H N Cl HO IC50 = 1.0 nM 328.76 O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)c(Cl)cc12)C1CC1 Homo sapiens CHEMBL930273 single protein format
CHEMBL3943813 OBDepict H 2 N N HN O N NH 2 N IC50 = 1.0 nM 388.48 Nc1ncc(-c2ccccc2)nc1C(=O)Nc1ccccc1N1CCC(N)CC1 Homo sapiens CHEMBL3889160 organism-based format
CHEMBL1940986 OBDepict N N O H CH 3 NH 2 O F N H N N IC50 = 1.0 nM 382.4 C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c(=O)c(C#N)cn1c23 Homo sapiens CHEMBL1944323 single protein format
CHEMBL495727 OBDepict O NH NH N N H N N H N O IC50 = 1.0 nM 381.44 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 Homo sapiens CHEMBL1009899 single protein format
CHEMBL1957949 OBDepict F N N H HO N H O N H S O O CH 3 IC50 = 1.0 nM 468.51 CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccc(F)cc4)nc23)cc1 Homo sapiens CHEMBL1961118 single protein format
CHEMBL1082151 OBDepict OH HN O N H O N H 3 C IC50 = 1.0 nM 375.43 Cn1cc(C2=C(c3cccc(NCCCO)c3)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL1102983 single protein format
CHEMBL2048663 OBDepict CH 3 S N H O O N H O N N N H O IC50 = 1.0 nM 439.5 CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3[nH]c(-c4ccoc4)nc23)cc1 Homo sapiens CHEMBL2051312 single protein format
CHEMBL2177155 OBDepict CH 3 N N S O O F F F N N H 2 N NH O N Ki = 1.1 nM 521.53 CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2182637 single protein format
CHEMBL4165510 OBDepict O N N N F O N H O N N IC50 = 1.1 nM 512.55 O=CN1Cc2cc(F)cc3c(C4=C(c5cnc6ccccn56)C(=O)NC4=O)cn(c23)CC1N1CCCCC1 Homo sapiens CHEMBL4146565 single protein format
CHEMBL3410089 OBDepict H 3 C O N S O H 2 N N N H O IC50 = 1.1 nM 318.36 COc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(N)=O Homo sapiens CHEMBL3413879 single protein format
CHEMBL362558 OBDepict F N N N O O N H O N N IC50 = 1.1 nM 512.55 O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2 Homo sapiens CHEMBL833508 single protein format
CHEMBL4067532 OBDepict Cl NH N N N CH 3 O N N IC50 = 1.1 nM 382.86 Cn1c(N2CCNC(c3cccc(Cl)c3)C2)nc(-c2ccncn2)cc1=O Homo sapiens CHEMBL4057861 single protein format
CHEMBL4077048 OBDepict Cl N N H CH 3 N N H 3 C O N N IC50 = 1.2 nM 396.88 C[C@@H]1CN(c2ccc(Cl)cc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C Homo sapiens CHEMBL4057839 single protein format
CHEMBL4105346 OBDepict Cl H HN N N N H 3 C O N N ClH IC50 = 1.2 nM 419.32 Cl.Cn1c(N2CCN[C@@H](c3ccc(Cl)cc3)C2)nc(-c2ccncn2)cc1=O Homo sapiens CHEMBL4057861 single protein format
CHEMBL490842 OBDepict HO O N H 3 C O N H O O IC50 = 1.2 nM 414.42 Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cccc(CCC(=O)O)c21 Homo sapiens CHEMBL963374 single protein format
CHEMBL4744945 OBDepict H 3 C O N N H O N N H H H O N O CH 3 CH 3 Ki = 1.26 nM 427.51 COc1ccc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)cn1 Homo sapiens CHEMBL4672955 cell-based format
CHEMBL2182001 OBDepict CH 3 N N S O O F N N H 2 N NH O N Ki = 1.3 nM 471.52 CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(F)c2)CC1 Homo sapiens CHEMBL2182637 single protein format
CHEMBL363058 OBDepict H 3 C O CH 3 N O N O N H O N N IC50 = 1.3 nM 469.5 CC(C)OC(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3cccc(c32)C1 Homo sapiens CHEMBL833508 single protein format
CHEMBL4162850 OBDepict O N N N O O N H O N N IC50 = 1.3 nM 496.53 O=CN1Cc2cccc3c(C4=C(c5cnc6ccccn56)C(=O)NC4=O)cn(c23)CC1N1CCOCC1 Homo sapiens CHEMBL4146565 single protein format
CHEMBL178737 OBDepict O N N N O O N H O N N IC50 = 1.3 nM 496.53 O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CN(C(=O)N1CCOCC1)CC2 Homo sapiens CHEMBL833508 single protein format
CHEMBL4164416 OBDepict O N O N H 3 C CH 3 O N H O N N IC50 = 1.3 nM 469.5 CC(C)OC1Cn2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3cccc(c32)CN1C=O Homo sapiens CHEMBL4146565 single protein format
CHEMBL4521500 OBDepict O NH N N N H O CH 3 IC50 = 1.37 nM 410.48 CC(=O)c1ccc(-c2c[nH]c3ncc(/C=C/C(=O)NCCc4ccccn4)cc23)cc1 Homo sapiens CHEMBL4431132 single protein format
CHEMBL3719193 OBDepict O N CH 3 N N N H H 3 C N N IC50 = 1.4 nM 362.44 C[C@@H]1CN(c2ccccc2)CCN1c1nc(-c2ccncn2)cc(=O)n1C Homo sapiens CHEMBL4057839 single protein format
CHEMBL1940979 OBDepict N N O H CH 3 NH 2 O F N H IC50 = 1.4 nM 392.43 C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c(=O)c(C#N)cn1c23 Homo sapiens CHEMBL1944323 single protein format
CHEMBL4763408 OBDepict CH 3 N H OH O O H H N H N N H O N O H 3 C Ki = 1.41 nM 445.52 CCC(CO)CNC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)Cc3ccc(OC)nc3)n[nH]2)C1 Homo sapiens CHEMBL4672955 cell-based format
CHEMBL4579826 OBDepict O N H N N N H O H 3 C IC50 = 1.42 nM 396.45 CC(=O)c1ccc(-c2c[nH]c3ncc(/C=C/C(=O)NCc4ccncc4)cc23)cc1 Homo sapiens CHEMBL4431132 single protein format
CHEMBL2203552 OBDepict CH 3 O N N N H N O N H IC50 = 1.491 nM 371.4 COc1cnc(-c2cnc3ccccc3c2)nc1-c1cc2c([nH]1)CCNC2=O Homo sapiens CHEMBL2211468 single protein format
CHEMBL2177156 OBDepict H 3 C N N S O O CH 3 H 3 C N N NH 2 N H O N Ki = 1.5 nM 481.58 Cc1cc(S(=O)(=O)N2CCN(C)CC2)c(C)cc1-c1cnc(N)c(C(=O)Nc2cccnc2)n1 Homo sapiens CHEMBL2182637 single protein format
CHEMBL270473 OBDepict H 3 C N N N N H O N N H CH 3 CH 3 OH IC50 = 1.5 nM 444.54 Cc1cc(-c2cc(-c3nc4ccc(CN5CCN(C)CC5)cc4[nH]3)c(=O)[nH]n2)cc(C)c1O Homo sapiens CHEMBL929988 single protein format
CHEMBL4169204 OBDepict O N N N CH 3 H 3 C O N H O N N IC50 = 1.6 nM 454.49 CN(C)C1Cn2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3cccc(c32)CN1C=O Homo sapiens CHEMBL4146565 single protein format
CHEMBL362814 OBDepict O N N H 3 C H 3 C N O N H O N N IC50 = 1.6 nM 454.49 CN(C)C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3cccc(c32)C1 Homo sapiens CHEMBL833508 single protein format
CHEMBL4104714 OBDepict Cl NH N N N CH 3 O N N IC50 = 1.7 nM 382.86 Cn1c(N2CCNC(c3ccc(Cl)cc3)C2)nc(-c2ccncn2)cc1=O Homo sapiens CHEMBL4057861 single protein format
CHEMBL4071429 OBDepict CH 3 O F NH F N N N CH 3 O N N ClH IC50 = 1.7 nM 450.88 COc1cc(F)cc(F)c1C1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCN1.Cl Homo sapiens CHEMBL4057861 single protein format
CHEMBL4758192 OBDepict N H N H CH 3 O O H H N H N N H O S N CH 3 Ki = 1.72 nM 428.52 Cc1ncc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4C[C@@H](C#N)[C@@H]4C)C3)[nH]n2)s1 Homo sapiens CHEMBL4672955 cell-based format
CHEMBL4085821 OBDepict CH 3 O NH N N N CH 3 O N ClH IC50 = 1.8 nM 413.91 COc1ccccc1C1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1.Cl Homo sapiens CHEMBL4057861 single protein format
CHEMBL1081973 OBDepict HO HO O N H O N CH 3 F IC50 = 1.8 nM 394.4 Cn1cc(C2=C(c3cccc(CC(O)CO)c3)C(=O)NC2=O)c2cc(F)ccc21 Homo sapiens CHEMBL1102983 single protein format
CHEMBL4065624 OBDepict CH 3 O NH N N N CH 3 O N N ClH IC50 = 1.8 nM 414.9 COc1ccccc1C1CN(c2nc(-c3ccncn3)cc(=O)n2C)CCN1.Cl Homo sapiens CHEMBL4057861 single protein format
CHEMBL54547 OBDepict H 2 N O N H O N CH 3 IC50 = 1.8 nM 317.35 Cn1cc(C2=C(c3cccc(N)c3)C(=O)NC2=O)c2ccccc21 Homo sapiens CHEMBL1102983 single protein format
CHEMBL4744114 OBDepict H 3 C O N N H O N N H H H O N H O H H OH Ki = 1.85 nM 457.53 COc1ccc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)N[C@H]4CC[C@H](O)CC4)C3)[nH]n2)cn1 Homo sapiens CHEMBL4672955 cell-based format
CHEMBL1076701 OBDepict CH 3 O N N H N N H O Cl Ki = 1.9 nM 328.76 COc1ccc(C2=NNC(=O)/C2=NNc2cccc(Cl)c2)cc1 Homo sapiens CHEMBL1102102 single protein format
CHEMBL2386092 OBDepict F N N N O O HN O O IC50 = 1.9 nM 512.54 O=C1NC(=O)C(c2cn3c4c(cc(F)cc24)CN(C(=O)N2CCCCC2)CC3)=C1c1coc2ccccc12 Homo sapiens CHEMBL2390763 single protein format
CHEMBL2177159 OBDepict H 3 C O NH S O O N N H 2 N NH O N Ki = 2.0 nM 428.47 COCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1 Homo sapiens CHEMBL2182637 single protein format