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Q9NZJ5 | E2AK3_HUMAN | Eukaryotic translation initiation factor 2-alpha kinase 3 (EIF2AK3)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "PERK and Ire1 luminal domains" // PQQ_2 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 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 = -100200.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804460 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -40800.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804460 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -15700.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804460 cell-based format
CHEMBL2171141 OBDepict F N O N H 3 C NH 2 N N IC50 = 0.2 nM 401.45 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171143 OBDepict O N H 3 C N H 3 C NH 2 N N IC50 = 0.2 nM 397.48 Cc1ccccc1CC(=O)N1CCc2cc(-c3cn(C)c4ncnc(N)c34)ccc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171144 OBDepict CH 3 N O N H 3 C NH 2 N N IC50 = 0.2 nM 397.48 Cc1cccc(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)c1 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171122 OBDepict Cl N O N H 3 C NH 2 N N IC50 = 0.2 nM 417.9 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171126 OBDepict F F F N O N H 3 C NH 2 N N IC50 = 0.2 nM 437.43 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(F)c2F)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171125 OBDepict F F F F N O N CH 3 H 2 N N N IC50 = 0.3 nM 469.44 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)cc(C(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171124 OBDepict O N F F F N CH 3 H 2 N N N IC50 = 0.4 nM 451.45 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171139 OBDepict F F N O N CH 3 H 2 N N N IC50 = 0.4 nM 419.44 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171123 OBDepict CH 3 O N O N H 3 C NH 2 N N IC50 = 0.5 nM 413.48 COc1cccc(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)c1 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2441342 OBDepict O N N F F F F N CH 3 H 2 N N N IC50 = 0.5 nM 470.43 Cn1cc(-c2ccc3c(c2F)CCN3C(=O)Cc2cccc(C(F)(F)F)n2)c2c(N)ncnc21 Homo sapiens CHEMBL2444392 single protein format
CHEMBL2171135 OBDepict F F N O S NH 2 N N IC50 = 0.6 nM 422.46 Nc1ncnc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171140 OBDepict O N F N H 3 C NH 2 N N IC50 = 0.7 nM 401.45 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccc2F)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171121 OBDepict O N Cl N H 3 C NH 2 N N IC50 = 0.9 nM 417.9 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccc2Cl)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171131 OBDepict H N N N S H 2 N N O IC50 = 0.9 nM 451.56 Nc1ncc(-c2cn[nH]c2)c2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12 Homo sapiens CHEMBL2172956 single protein format
CHEMBL3407849 OBDepict H 3 C NH N N O H 3 C O N O N CH 3 IC50 = 1.0 nM 541.61 CNc1ncc2ccc(Oc3cc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)ccc3C)cc2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL3407846 OBDepict F O F F F N N CH 3 H 2 N N N IC50 = 1.0 nM 469.44 Cn1cc(-c2ccc3c(c2)CCN3CC(=O)c2cc(F)cc(C(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL3412166 assay format
CHEMBL2171129 OBDepict O N S NH 2 N N IC50 = 1.2 nM 462.58 Nc1ncc(-c2ccncc2)c2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171142 OBDepict F N O N CH 3 H 2 N N N IC50 = 1.5 nM 401.45 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccc(F)cc2)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171130 OBDepict O N S NH 2 N HN IC50 = 1.9 nM 468.63 Nc1ncc(C2CCNCC2)c2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12 Homo sapiens CHEMBL2172956 single protein format
CHEMBL3407863 OBDepict F O F F F N N CH 3 H 2 N N N CH 3 IC50 = 2.0 nM 483.47 Cc1nc(N)c2c(-c3ccc4c(c3)CCN4CC(=O)c3cc(F)cc(C(F)(F)F)c3)cn(C)c2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL4857782 OBDepict H 3 C NH N O HO H H 2 N NH O CH 3 H 3 C F F IC50 = 2.0 nM 468.5 CCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL2171134 OBDepict F F N O S NH 2 N IC50 = 2.5 nM 421.47 Nc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12 Homo sapiens CHEMBL2172956 single protein format
CHEMBL3407850 OBDepict H 3 C NH N N O H 2 N O N O N CH 3 IC50 = 3.0 nM 542.6 CNc1ncc2ccc(Oc3cc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)ccc3N)cc2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL4869882 OBDepict F F OH H N H O CH 3 N H 2 N N H O IC50 = 3.0 nM 452.46 Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC2CC2)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL4853221 OBDepict CH 3 NH H 3 C O NH 2 N CH 3 HN O OH H Cl IC50 = 3.0 nM 452.94 Cc1cc(NC(=O)[C@H](O)c2cccc(Cl)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL3407504 OBDepict H 3 C N H N N O H 3 C NH 2 O N O N CH 3 IC50 = 3.0 nM 556.63 CNc1ncc2ccc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL4870780 OBDepict CH 3 N H CH 3 O NH 2 N CH 3 N H O OH H CH 3 IC50 = 3.0 nM 432.52 Cc1cccc([C@@H](O)C(=O)Nc2ccc(-c3cnc(N)c(C(=O)NC(C)C)c3)c(C)c2)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL3407848 OBDepict CH 3 O O CH 3 O N N N H O N O N H 3 C IC50 = 4.0 nM 573.61 COc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC Homo sapiens CHEMBL3412166 assay format
CHEMBL3407856 OBDepict CH 3 N S CH 3 NH 2 O N O N H 3 C IC50 = 4.0 nM 530.65 Cc1nc2ccc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2s1 Homo sapiens CHEMBL3412166 assay format
CHEMBL4863698 OBDepict H 3 C N H O H 2 N N CH 3 NH O HO H F F IC50 = 4.0 nM 440.45 CCNC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N Homo sapiens CHEMBL4822225 assay format
CHEMBL4862478 OBDepict CH 3 NH H 3 C O NH 2 N CH 3 HN O OH H F F IC50 = 4.0 nM 454.48 Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL3407852 OBDepict H 3 C N H N N F O H 3 C NH 2 O N O N CH 3 IC50 = 4.0 nM 574.62 CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL1667910 OBDepict HO NH O N N N IC50 = 4.1 nM 354.37 Oc1cccc2cc(Nc3c(-c4ncccn4)oc4cnccc34)ccc12 Homo sapiens CHEMBL1670303 single protein format
CHEMBL4861671 OBDepict CH 3 NH H 3 C O N NH 2 N CH 3 HN O OH H F F IC50 = 5.0 nM 455.47 Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)n1 Homo sapiens CHEMBL4822225 assay format
CHEMBL3407854 OBDepict CH 3 N N O CH 3 NH 2 O N O N H 3 C IC50 = 5.0 nM 541.61 Cc1ncc2ccc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL3407851 OBDepict H 3 C NH N N O Cl O N O N CH 3 IC50 = 5.0 nM 562.03 CNc1ncc2ccc(Oc3cc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)ccc3Cl)cc2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL2171138 OBDepict F F N O N N CH 3 H 2 N N N IC50 = 5.4 nM 420.42 Cn1nc(-c2ccc3c(c2)CCN3C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc21 Homo sapiens CHEMBL2172956 single protein format
CHEMBL3407859 OBDepict F N S CH 3 H 2 N O N O N CH 3 IC50 = 6.0 nM 548.64 Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(CF)sc2c1 Homo sapiens CHEMBL3412166 assay format
CHEMBL3407862 OBDepict CH 3 N CH 3 NH 2 O N O N H 3 C IC50 = 6.0 nM 524.62 Cc1ccc2cc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)ccc2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL3407853 OBDepict H 3 C N H N N Cl O H 3 C NH 2 O N O N CH 3 IC50 = 6.0 nM 591.07 CNc1ncc2c(Cl)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL4858308 OBDepict CH 3 HO H HN O CH 3 N NH 2 HN O H 3 C CH 3 IC50 = 6.0 nM 446.55 CCc1cccc([C@@H](O)C(=O)Nc2ccc(-c3cnc(N)c(C(=O)NC(C)C)c3)c(C)c2)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL2171136 OBDepict F F N O O NH 2 N N IC50 = 7.4 nM 406.39 Nc1ncnc2occ(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12 Homo sapiens CHEMBL2172956 single protein format
CHEMBL4848359 OBDepict CH 3 N H O N NH 2 N CH 3 HN O OH H F F IC50 = 8.0 nM 427.41 CNC(=O)c1nc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N Homo sapiens CHEMBL4822225 assay format
CHEMBL2171137 OBDepict F F N O O NH 2 N IC50 = 8.1 nM 405.4 Nc1nccc2occ(-c3ccc4c(c3)CCN4C(=O)Cc3cc(F)ccc3F)c12 Homo sapiens CHEMBL2172956 single protein format
CHEMBL3407857 OBDepict CH 3 N H N S CH 3 NH 2 O N O N H 3 C IC50 = 9.0 nM 545.67 CNc1nc2ccc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2s1 Homo sapiens CHEMBL3412166 assay format
CHEMBL4870495 OBDepict CH 3 NH H 3 C O NH 2 N CH 3 HN O OH H IC50 = 9.0 nM 418.5 Cc1cc(NC(=O)[C@H](O)c2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL4848143 OBDepict H 3 C N H CH 3 O H 2 N N Cl NH O HO H F F IC50 = 9.0 nM 474.9 CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2Cl)cnc1N Homo sapiens CHEMBL4822225 assay format
CHEMBL3407860 OBDepict H 3 C NH 2 O S N N O N CH 3 F F IC50 = 11.0 nM 566.63 Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(C(F)F)sc2c1 Homo sapiens CHEMBL3412166 assay format
CHEMBL3407858 OBDepict NH 2 N S CH 3 NH 2 O N O N H 3 C IC50 = 11.0 nM 531.64 Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(N)sc2c1 Homo sapiens CHEMBL3412166 assay format
CHEMBL2171127 OBDepict O N H F F S H 2 N N N IC50 = 11.0 nM 396.42 Nc1ncnc2scc(-c3ccc(NC(=O)Cc4cc(F)ccc4F)cc3)c12 Homo sapiens CHEMBL2172956 single protein format
CHEMBL2171133 OBDepict O N S H 2 N N IC50 = 11.7 nM 385.49 Nc1nccc2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12 Homo sapiens CHEMBL2172956 single protein format
CHEMBL4875875 OBDepict CH 3 N H O NH 2 N CH 3 HN O OH H F F IC50 = 14.0 nM 426.42 CNC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N Homo sapiens CHEMBL4822225 assay format
CHEMBL1667911 OBDepict CH 3 N N N N O NH N HO IC50 = 16.0 nM 466.55 CN1CCN(Cc2cnc(-c3oc4cnccc4c3Nc3ccc4c(O)cccc4c3)nc2)CC1 Homo sapiens CHEMBL1670303 single protein format
CHEMBL2441344 OBDepict O N N N H 3 C N H 3 C NH 2 N N IC50 = 16.6 nM 387.45 Cc1ccnn1CC(=O)N1CCc2cc(-c3cn(C)c4ncnc(N)c34)ccc21 Homo sapiens CHEMBL2444392 single protein format
CHEMBL4851480 OBDepict H 3 C N H CH 3 O H 2 N N F NH O HO H F F IC50 = 17.0 nM 458.44 CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2F)cnc1N Homo sapiens CHEMBL4822225 assay format
CHEMBL2171145 OBDepict H 3 C N O N CH 3 H 2 N N N IC50 = 17.4 nM 397.48 Cc1ccc(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)cc1 Homo sapiens CHEMBL2172956 single protein format
CHEMBL1667899 OBDepict OH N NH HN O N N N IC50 = 18.0 nM 358.36 O/N=C1NCc2cc(Nc3c(-c4ncccn4)oc4cnccc34)ccc21 Homo sapiens CHEMBL1670303 single protein format
CHEMBL4870100 OBDepict CH 3 O H 3 C O NH 2 N CH 3 HN O OH H F F IC50 = 19.0 nM 455.46 Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)OC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL2441336 OBDepict O N N N CH 3 H 2 N N N IC50 = 19.1 nM 384.44 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccccn2)c2c(N)ncnc21 Homo sapiens CHEMBL2444392 single protein format
CHEMBL4846663 OBDepict CH 3 NH H 3 C O NH 2 N HN O OH H F F IC50 = 23.0 nM 440.45 CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2)cnc1N Homo sapiens CHEMBL4822225 assay format
CHEMBL2441337 OBDepict O N N N CH 3 H 2 N N N IC50 = 23.4 nM 384.44 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccnc2)c2c(N)ncnc21 Homo sapiens CHEMBL2444392 single protein format
CHEMBL4852735 OBDepict CH 3 NH H 3 C O NH 2 N CH 3 HN O OH H F F IC50 = 26.0 nM 454.48 Cc1cc(NC(=O)[C@@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL4854504 OBDepict CH 3 NH H 3 C O N CH 3 HN O OH H F F IC50 = 27.0 nM 439.46 Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cncc(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL1667925 OBDepict CH 3 O O O N H N N HO IC50 = 30.0 nM 351.36 CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC/C2=N/O Homo sapiens CHEMBL1670303 single protein format
CHEMBL2441341 OBDepict O N N F F F N CH 3 H 2 N N N IC50 = 30.0 nM 452.44 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(C(F)(F)F)n2)c2c(N)ncnc21 Homo sapiens CHEMBL2444391 cell-based format
CHEMBL2171132 OBDepict O N S H 2 N N N N CH 3 IC50 = 30.0 nM 465.58 Cn1cc(-c2cnc(N)c3c(-c4ccc5c(c4)CCN5C(=O)Cc4ccccc4)csc23)cn1 Homo sapiens CHEMBL2172954 cell-based format
CHEMBL2441340 OBDepict O N N F CH 3 N H 3 C NH 2 N N IC50 = 30.0 nM 416.46 Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Homo sapiens CHEMBL2444391 cell-based format
CHEMBL2441346 OBDepict O N N N CH 3 F CH 3 N H 3 C NH 2 N N IC50 = 30.0 nM 419.46 Cc1cc(C)n(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Homo sapiens CHEMBL2444391 cell-based format
CHEMBL1614963 OBDepict Cl OH N H O N N N IC50 = 31.0 nM 338.75 Oc1cc(Nc2c(-c3ncccn3)oc3cnccc23)ccc1Cl Homo sapiens CHEMBL1670303 single protein format
CHEMBL4876496 OBDepict F F HO H HN O CH 3 N NH 2 HN O CH 3 CH 3 H 3 C IC50 = 33.0 nM 468.5 Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL1614960 OBDepict O HN O NH N N N HO IC50 = 37.9 nM 397.39 O=C(Nc1ccncn1)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1 Homo sapiens CHEMBL1670303 single protein format
CHEMBL3407847 OBDepict CH 3 N H N N CH 3 NH 2 NH O O F F F H 3 C IC50 = 41.0 nM 481.48 CNc1ncc2cc(-c3c(C)ccc(C(=O)Nc4ccc(OC)c(C(F)(F)F)c4)c3N)ccc2n1 Homo sapiens CHEMBL3412166 assay format
CHEMBL3407864 OBDepict CH 3 O O CH 3 O N N N H O N O N H 3 C N IC50 = 42.0 nM 574.6 COc1cc2nccc(Oc3ccc(NC(=O)c4c(-c5ccncc5)n(C)n(-c5ccccc5)c4=O)nc3)c2cc1OC Homo sapiens CHEMBL3412166 assay format
CHEMBL3407861 OBDepict H 3 C NH 2 O S N N O N CH 3 F F F IC50 = 53.0 nM 584.62 Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(C(F)(F)F)sc2c1 Homo sapiens CHEMBL3412166 assay format
CHEMBL1667906 OBDepict CH 3 O O O N H N OH IC50 = 54.0 nM 348.36 CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1 Homo sapiens CHEMBL1670303 single protein format
CHEMBL2441343 OBDepict O N N N H 3 C N CH 3 H 2 N N N IC50 = 57.5 nM 387.45 Cc1ccn(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)n1 Homo sapiens CHEMBL2444392 single protein format
CHEMBL2441338 OBDepict O N N N CH 3 H 2 N N N IC50 = 63.8 nM 384.44 Cn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2ccncc2)c2c(N)ncnc21 Homo sapiens CHEMBL2444392 single protein format
CHEMBL4849149 OBDepict CH 3 NH H 3 C O CH 3 N CH 3 HN O OH H F F IC50 = 68.0 nM 453.49 Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(C)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL4866245 OBDepict H 3 C N H CH 3 O H 2 N N H 3 C N H O IC50 = 73.0 nM 402.5 Cc1cc(NC(=O)Cc2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL4853611 OBDepict O N H OH H F F CH 3 N NH 2 IC50 = 75.0 nM 369.37 Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1ccc(N)nc1 Homo sapiens CHEMBL4822225 assay format
CHEMBL4870565 OBDepict H 3 C O NH N O HO H H 2 N NH O CH 3 H 3 C F F IC50 = 85.0 nM 470.48 COc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL1667908 OBDepict H 3 C HN CH 3 O O N H N OH IC50 = 86.7 nM 361.4 CC(C)NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1 Homo sapiens CHEMBL1670303 single protein format
CHEMBL2171128 OBDepict O N S NH 2 N N IC50 = 100.0 nM 462.58 Nc1ncc(-c2cccnc2)c2scc(-c3ccc4c(c3)CCN4C(=O)Cc3ccccc3)c12 Homo sapiens CHEMBL2172954 cell-based format
CHEMBL2441345 OBDepict O N N N CH 3 CH 3 N H 3 C NH 2 N N IC50 = 100.0 nM 401.47 Cc1cc(C)n(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)n1 Homo sapiens CHEMBL2444391 cell-based format
CHEMBL2441339 OBDepict O N N CH 3 N H 3 C NH 2 N N IC50 = 100.0 nM 398.47 Cc1cccc(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)n1 Homo sapiens CHEMBL2444391 cell-based format
CHEMBL1667909 OBDepict H 3 C N CH 3 HN O O HN N OH IC50 = 102.0 nM 388.43 CN(C)/C=C/NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1 Homo sapiens CHEMBL1670303 single protein format
CHEMBL4858598 OBDepict CH 3 N H N N H O CH 3 H 3 C CH 3 HN O OH H F F IC50 = 129.0 nM 468.5 CNc1ncc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cc1C(=O)NC(C)C Homo sapiens CHEMBL4822225 assay format
CHEMBL4868021 OBDepict CH 3 NH H 3 C O NH 2 N CH 3 HN O OH H 3 C IC50 = 130.0 nM 432.52 Cc1cc(NC(=O)[C@](C)(O)c2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL1667923 OBDepict H 3 C N N H HN Cl O N N N IC50 = 140.0 nM 390.83 CCc1n[nH]c2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12 Homo sapiens CHEMBL1670303 single protein format
CHEMBL1667907 OBDepict CH 3 O O O N H N OH F IC50 = 142.0 nM 366.35 CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(O)c(F)ccc2c1 Homo sapiens CHEMBL1670303 single protein format
CHEMBL4848921 OBDepict CH 3 NH H 3 C O NH 2 N CH 3 HN O OH H 3 C IC50 = 159.0 nM 432.52 Cc1cc(NC(=O)[C@@](C)(O)c2ccccc2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL3407855 OBDepict CH 3 S N CH 3 NH 2 O N O N H 3 C IC50 = 240.0 nM 530.65 Cc1nc2cc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)ccc2s1 Homo sapiens CHEMBL3412166 assay format
CHEMBL4865268 OBDepict O N H OH F F CH 3 N H 2 N O HO IC50 = 241.0 nM 413.38 Cc1cc(NC(=O)C(O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)O)c1 Homo sapiens CHEMBL4822225 assay format
CHEMBL1667916 OBDepict Cl N H N HN O N N N IC50 = 250.0 nM 362.78 Clc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c12 Homo sapiens CHEMBL1670303 single protein format
CHEMBL1667922 OBDepict H N N Cl HN CH 3 O N N N IC50 = 300.0 nM 376.81 Cc1cc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c2c1Cl Homo sapiens CHEMBL1670303 single protein format
CHEMBL1667924 OBDepict HO N N H HN Cl O N N N IC50 = 350.0 nM 420.86 OCCCc1n[nH]c2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12 Homo sapiens CHEMBL1670303 single protein format
CHEMBL3943051 OBDepict CH 3 O N H N H O N N N N O H 3 C CH 3 CH 3 O NH 2 IC50 = 400.0 nM 505.58 COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1noc(C(N)=O)c1C(C)(C)C2 Homo sapiens CHEMBL3888388 single protein format