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O00408 | PDE2A_HUMAN | "cGMP-dependent 3',5'-cyclic phosphodiesterase" (PDE2A)

3D structures mapped by conservation among orthologs

[ Domain: "HD-domain/PDEase-like" // PDEase_I ]

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[ Domain: "sensor domains" // GAF ]

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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
CHEMBL4071033 OBDepict H 3 C N N CH 3 N N N F F F F F CH 3 N O H IC50 = 0.06 nM 438.36 Cc1nn2c(-c3c(C)nn(C)c3-c3ccc(C(F)(F)F)cc3)nc(C(F)F)c2c(=O)[nH]1 Homo sapiens CHEMBL4049137 single protein format
CHEMBL4077126 OBDepict H 3 C N N CH 3 N N H 3 C N H 3 C F F F CH 3 N O H IC50 = 0.16 nM 416.41 Cc1nn2c(-c3c(C)nn(C)c3-c3ccc(C(F)(F)F)c(C)c3)nc(C)c2c(=O)[nH]1 Homo sapiens CHEMBL4049137 single protein format
CHEMBL3693359 OBDepict Cl N N N OH N O CH 3 N IC50 = 0.2 nM 435.92 Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(C4(O)CCCOC4)ccc3Cl)nnc12 Homo sapiens CHEMBL3706318 cell-based format
CHEMBL4076642 OBDepict HO N N O N N H CH 3 N N CH 3 H 3 C CH 3 F F F IC50 = 0.2 nM 432.41 Cc1nn2c(-c3c(C)nn(C)c3-c3ccc(C(F)(F)F)c(C)c3)nc(CO)c2c(=O)[nH]1 Homo sapiens CHEMBL4049137 single protein format
CHEMBL4092829 OBDepict H N N CH 3 N N N F F F F F CH 3 N O H IC50 = 0.23 nM 424.33 Cc1nn2c(-c3c(C)n[nH]c3-c3ccc(C(F)(F)F)cc3)nc(C(F)F)c2c(=O)[nH]1 Homo sapiens CHEMBL4049137 single protein format
CHEMBL2313250 OBDepict CH 3 NH O N N N N H 3 C Cl Cl IC50 = 0.28 nM 400.27 CCNC(=O)c1ccc2nc(C)c3nnc(-c4c(Cl)cccc4Cl)n3c2c1 Homo sapiens CHEMBL2320477 cell-based format
CHEMBL4062397 OBDepict OH N N O N N H CH 3 N N H 3 C CH 3 F F F IC50 = 0.3 nM 418.38 Cc1nn2c(-c3c(C)nn(C)c3-c3ccc(C(F)(F)F)cc3)nc(CO)c2c(=O)[nH]1 Homo sapiens CHEMBL4049137 single protein format
CHEMBL3655786 OBDepict H 3 C N N N N H 3 C N N N F F F IC50 = 0.303 nM 413.41 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL2313258 OBDepict O N H N N N N CH 3 Cl IC50 = 0.38 nM 427.9 Cc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3Cl)nnc12 Homo sapiens CHEMBL2320477 cell-based format
CHEMBL2313231 OBDepict O N H N N N N N H 3 C Cl IC50 = 0.42 nM 428.88 Cc1nc2ccc(C(=O)NCc3ccccn3)cc2n2c(-c3ccccc3Cl)nnc12 Homo sapiens CHEMBL2320477 cell-based format
CHEMBL2313263 OBDepict O N H N N N N N CH 3 O Cl IC50 = 0.47 nM 450.93 Cc1nc2ccc(C(=O)NCCN3CCOCC3)cc2n2c(-c3ccccc3Cl)nnc12 Homo sapiens CHEMBL2320477 cell-based format
CHEMBL3655788 OBDepict CH 3 N CH 3 N N N CH 3 N N N IC50 = 0.517 nM 373.46 CCc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)cc1 Homo sapiens CHEMBL3705549 single protein format
CHEMBL2381188 OBDepict F N N N N N CH 3 N N CH 3 F F F IC50 = 0.53 nM 431.4 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(N3CC(F)C3)ncnn12 Homo sapiens CHEMBL2384422 cell-based format
CHEMBL2381186 OBDepict CH 3 O H 3 C N CH 3 N N N CH 3 N N N IC50 = 0.58 nM 389.46 COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)c(C)c1 Homo sapiens CHEMBL2384422 cell-based format
CHEMBL4794209 OBDepict O N H O H CH 3 N N N N F F IC50 = 0.6 nM 411.41 C[C@@H]1CCN(C(=O)c2ccc3occc3c2)C[C@H]1c1cc(C(F)F)nc2ncnn12 Homo sapiens CHEMBL4672632 cell-based format
CHEMBL2313247 OBDepict CH 3 HN O N N N N CH 3 Cl IC50 = 0.6 nM 365.82 CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 Homo sapiens CHEMBL2320477 cell-based format
CHEMBL4160171 OBDepict H 3 C N N CH 3 N N N H 3 C F F F CH 3 N O H IC50 = 0.6 nM 402.38 Cc1nn2c(-c3c(C)nn(C)c3-c3ccc(C(F)(F)F)cc3)nc(C)c2c(=O)[nH]1 Homo sapiens CHEMBL4144777 single protein format
CHEMBL4060569 OBDepict CH 3 O N H H N O F O N O NH F F F O H 3 C IC50 = 0.61 nM 458.37 COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc21)c1ccc(OC(F)(F)F)c(F)c1 Homo sapiens CHEMBL4041342 cell-based format
CHEMBL3655826 OBDepict CH 3 O Cl N CH 3 N N N CH 3 N N N IC50 = 0.761 nM 409.88 COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)c(Cl)c1 Homo sapiens CHEMBL3705549 single protein format
CHEMBL3655783 OBDepict CH 3 HN N N N N N N HO H 3 C F F F IC50 = 0.763 nM 403.37 CNc1ncnn2c(CO)nc(-c3cnn(C)c3-c3ccc(C(F)(F)F)cc3)c12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL4076035 OBDepict H 3 C N N N N H N O IC50 = 0.8 nM 371.44 Cc1cc([C@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)n2ncnc2n1 Homo sapiens CHEMBL4008514 single protein format
CHEMBL2381185 OBDepict CH 3 O F N CH 3 N N N CH 3 N N N IC50 = 0.82 nM 393.43 COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)c(F)c1 Homo sapiens CHEMBL2384422 cell-based format
CHEMBL4863002 OBDepict F N N N O N CH 3 H H CH 3 F F F F Ki = 0.92 nM 386.32 Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)c(F)c3)nn(CCF)c2c(=O)[nH]1 Homo sapiens CHEMBL4836282 single protein format
CHEMBL4073753 OBDepict HO N N O N N H H 3 C N N CH 3 H 3 C Cl IC50 = 0.92 nM 384.83 Cc1nn2c(-c3c(C)nn(C)c3-c3ccc(Cl)cc3)nc(CO)c2c(=O)[nH]1 Homo sapiens CHEMBL4049137 single protein format
CHEMBL3655823 OBDepict N N F F F H 3 C N N N H 3 C N N N IC50 = 0.959 nM 438.42 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2C#N)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL3655851 OBDepict H 3 C O N H O N N N N N CH 3 N N CH 3 F F F IC50 = 0.975 nM 486.46 COC(=O)NC1CN(c2ncnn3c(C)nc(-c4cnn(C)c4-c4ccc(C(F)(F)F)cc4)c23)C1 Homo sapiens CHEMBL3705549 single protein format
CHEMBL3693326 OBDepict Cl N N N N CH 3 N OH H 3 C H 3 C IC50 = 1.0 nM 421.93 Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(CCC(C)(C)O)ccc3Cl)nnc12 Homo sapiens CHEMBL3706318 cell-based format
CHEMBL3092563 OBDepict F Cl N N N CH 3 N N O IC50 = 1.0 nM 410.87 Cc1nc2ccc(CN3CCOCC3)cc2n2c(-c3c([18F])cccc3Cl)nnc12 Homo sapiens CHEMBL3096517 cell-based format
CHEMBL3693348 OBDepict Cl N N N HO N H 3 C N H 3 C CH 3 IC50 = 1.0 nM 407.91 Cc1nc2ccc(C(C)C)nc2n2c(-c3cc(C4(O)CCC4)ccc3Cl)nnc12 Homo sapiens CHEMBL3706318 cell-based format
CHEMBL4066029 OBDepict H 3 C N N N N N O IC50 = 1.0 nM 371.44 Cc1cc(C2CCCN(C(=O)c3ccc4ccccc4c3)C2)n2ncnc2n1 Homo sapiens CHEMBL4008514 single protein format
CHEMBL3092562 OBDepict H 3 C N N N N N H 3 C N N N F F F IC50 = 1.0 nM 414.4 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3096525 cell-based format
CHEMBL3693351 OBDepict Cl N N N OH N CH 3 N O IC50 = 1.0 nM 435.92 Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(C4(O)CCOCC4)ccc3Cl)nnc12 Homo sapiens CHEMBL3706318 cell-based format
CHEMBL3693268 OBDepict OH Cl N N N N CH 3 N IC50 = 1.0 nM 351.8 Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(O)ccc3Cl)nnc12 Homo sapiens CHEMBL3706318 cell-based format
CHEMBL3693345 OBDepict Cl N N N OH N CH 3 N IC50 = 1.0 nM 405.89 Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(C4(O)CCC4)ccc3Cl)nnc12 Homo sapiens CHEMBL3706318 cell-based format
CHEMBL4103411 OBDepict CH 3 N N N N N F F O IC50 = 1.0 nM 407.42 Cc1cc(C2CN(C(=O)c3ccc4ccccc4c3)CC(F)(F)C2)n2ncnc2n1 Homo sapiens CHEMBL4008514 single protein format
CHEMBL3655807 OBDepict Cl F N H 3 C N N N H 3 C N N N IC50 = 1.0 nM 397.85 Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cc2F)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL3655821 OBDepict H 3 C N N N N H 3 C N N N F F IC50 = 1.01 nM 395.42 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)F)cc2)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL3655836 OBDepict Br N H 3 C N N N H 3 C N N N IC50 = 1.02 nM 424.31 Cc1nc(-c2cnn(C)c2-c2ccc(Br)cc2)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL4091870 OBDepict OH N N H 3 C N N N F F CH 3 N O H F F F IC50 = 1.02 nM 454.36 Cc1nn2c(-c3c(CO)nn(C)c3-c3ccc(C(F)(F)F)cc3)nc(C(F)F)c2c(=O)[nH]1 Homo sapiens CHEMBL4049137 single protein format
CHEMBL3676227 OBDepict CH 3 N F F F CH 3 N N N CH 3 N N N CH 3 H 3 C IC50 = 1.06 nM 415.42 Cc1cc(C(F)(F)F)ccc1-c1c(-c2nn(C)c3ncnc(N(C)C)c23)cnn1C Homo sapiens CHEMBL3706018 assay format
CHEMBL3655849 OBDepict F N N N N N CH 3 N N CH 3 F F F F IC50 = 1.08 nM 449.39 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2F)c2c(N3CC(F)C3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL2381187 OBDepict CH 3 O F F N CH 3 N N N CH 3 N N N IC50 = 1.08 nM 411.42 COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)c(F)c1F Homo sapiens CHEMBL2384422 cell-based format
CHEMBL4873599 OBDepict OH N N N O N CH 3 H H CH 3 F F F F Ki = 1.1 nM 384.33 Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)c(F)c3)nn(CCO)c2c(=O)[nH]1 Homo sapiens CHEMBL4836282 single protein format
CHEMBL4797113 OBDepict CH 3 N N N O N N F F O IC50 = 1.1 nM 411.41 CC1CCN(C(=O)c2ccc3occc3c2)CC1c1cc(C(F)F)nc2ncnn12 Homo sapiens CHEMBL4672632 cell-based format
CHEMBL4059875 OBDepict OH N N O N N H CH 3 N N H 3 C H F F F IC50 = 1.12 nM 404.35 Cc1nn2c(-c3c(C)n[nH]c3-c3ccc(C(F)(F)F)cc3)nc(CO)c2c(=O)[nH]1 Homo sapiens CHEMBL4049137 single protein format
CHEMBL3655837 OBDepict F O F N H 3 C N N N H 3 C N N N IC50 = 1.18 nM 411.42 Cc1nc(-c2cnn(C)c2-c2ccc(OC(F)F)cc2)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL2387425 OBDepict HO N N O N H N H 3 C H 3 C CH 3 O CH 3 N N N IC50 = 1.2 nM 503.61 COc1ccc(C2=Nc3c(C(C)(C)C)nn(CCO)c3C(=O)NC2)cc1-c1cnc(N2CCCC2)nc1 Homo sapiens CHEMBL2388165 single protein format
CHEMBL3655787 OBDepict H 3 C N N N N H 3 C N N N F F F F F IC50 = 1.25 nM 449.39 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(N3CC(F)(F)C3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL3655779 OBDepict Cl N H 3 C N N N H 3 C N N N IC50 = 1.26 nM 379.86 Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cc2)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL4871796 OBDepict F N N N O N CH 3 H H CH 3 CH 3 CH 3 H 3 C Ki = 1.3 nM 356.45 Cc1nc2c([C@H](C)c3ccc(C(C)(C)C)cc3)nn(CCF)c2c(=O)[nH]1 Homo sapiens CHEMBL4836282 single protein format
CHEMBL3092564 OBDepict O N H S O N H N Ki = 1.3 nM 441.56 O=c1[nH]c2ccc(C#Cc3cccnc3)cc2c(OCC2CCNCC2)c1-c1cccs1 Homo sapiens CHEMBL3705111 single protein format
CHEMBL4080109 OBDepict CH 3 N N N N CH 3 NH 2 N N F F F IC50 = 1.3 nM 373.34 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(N)ncnn12 Homo sapiens CHEMBL4028015 cell-based format
CHEMBL4741218 OBDepict F F N N N N H N H CH 3 N IC50 = 1.3 nM 420.47 C[C@@H]1CCN(c2cc(-c3ccccc3)ccn2)C[C@H]1c1cc(C(F)F)nc2ncnn12 Homo sapiens CHEMBL4672632 cell-based format
CHEMBL3655827 OBDepict CH 3 O N F F F CH 3 N N N CH 3 N N N IC50 = 1.3 nM 443.43 COc1cc(C(F)(F)F)ccc1-c1c(-c2nc(C)n3ncnc(N4CCC4)c23)cnn1C Homo sapiens CHEMBL3705549 single protein format
CHEMBL2387423 OBDepict HO N N O N H N H 3 C H 3 C CH 3 O CH 3 N H 3 C N CH 3 CH 3 IC50 = 1.3 nM 490.61 COc1ccc(C2=Nc3c(C(C)(C)C)nn(CCO)c3C(=O)NC2)cc1-c1cnc(N(C)C)cc1C Homo sapiens CHEMBL2388165 single protein format
CHEMBL3655854 OBDepict CH 3 HN N N N N H 3 C N N H 3 C F F F IC50 = 1.3 nM 387.37 CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(C(F)(F)F)cc3)c12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL3676179 OBDepict F N N N N N CH 3 N N CH 3 IC50 < 1.31 nM 403.47 Cn1ncc(-c2nn(C)c3ncnc(N4CC(F)C4)c23)c1-c1ccc(C2CC2)cc1 Homo sapiens CHEMBL3706018 assay format
CHEMBL3655778 OBDepict CH 3 N CH 3 N N N CH 3 N N N IC50 = 1.31 nM 359.44 Cc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)cc1 Homo sapiens CHEMBL3705549 single protein format
CHEMBL3655815 OBDepict H 3 C N N N F N N H 3 C N N N F F F IC50 = 1.32 nM 432.39 Cc1nc(-c2cnn(C)c2-c2ncc(C(F)(F)F)cc2F)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL2387426 OBDepict OH N N O N H N CH 3 CH 3 H 3 C O H 3 C N N N O IC50 = 1.4 nM 519.61 COc1ccc(C2=Nc3c(C(C)(C)C)nn(CCO)c3C(=O)NC2)cc1-c1cnc(N2CCOCC2)nc1 Homo sapiens CHEMBL2388165 single protein format
CHEMBL2313261 OBDepict CH 3 N CH 3 HN O N N N N CH 3 Cl IC50 = 1.4 nM 436.95 CCN(CC)CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 Homo sapiens CHEMBL2320477 cell-based format
CHEMBL3676210 OBDepict CH 3 N N N N CH 3 N N N H S O O H 3 C IC50 = 1.43 nM 477.59 Cn1ncc(-c2nn(C)c3ncnc(N4CC[C@H](S(C)(=O)=O)C4)c23)c1-c1ccc(C2CC2)cc1 Homo sapiens CHEMBL3706018 assay format
CHEMBL3655792 OBDepict CH 3 O N N CH 3 N N N CH 3 N N N IC50 = 1.47 nM 376.42 COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)nc1 Homo sapiens CHEMBL3705549 single protein format
CHEMBL4758144 OBDepict O N H N N S N O O CH 3 N N IC50 = 1.5 nM 424.49 CS(=O)(=O)n1ccc2cc(C(=O)N3CCC[C@H](c4ccnc5ncnn45)C3)ccc21 Homo sapiens CHEMBL4672632 cell-based format
CHEMBL3676206 OBDepict CH 3 N H O H N N N N N H 3 C N N H 3 C IC50 = 1.52 nM 456.55 CC(=O)N[C@@H]1CCN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1 Homo sapiens CHEMBL3706018 assay format
CHEMBL3655844 OBDepict H 3 C N N N N N H 3 C N N N F F H 3 C IC50 = 1.55 nM 410.43 Cc1nc(-c2cnn(C)c2-c2ccc(C(C)(F)F)cn2)c2c(N3CCC3)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL3655822 OBDepict CH 3 N N N Cl N CH 3 CH 3 N N N IC50 = 1.59 nM 393.88 Cc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)cc1Cl Homo sapiens CHEMBL3705549 single protein format
CHEMBL4069753 OBDepict H 3 C O O H 3 C N N N H O N H 3 C H HO CH 3 H IC50 = 1.59 nM 476.58 COc1ccc(Cc2nn3c([C@@H](CCCc4ccccc4)[C@H](C)O)nc(C)c3c(=O)[nH]2)cc1OC Homo sapiens CHEMBL4049137 single protein format
CHEMBL4102321 OBDepict CH 3 O N H H N O O N O NH F F F O H 3 C IC50 = 1.6 nM 440.38 COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc21)c1ccc(OC(F)(F)F)cc1 Homo sapiens CHEMBL4041342 cell-based format
CHEMBL3676184 OBDepict CH 3 N CH 3 N N N CH 3 N N N IC50 = 1.64 nM 373.46 CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)cc1 Homo sapiens CHEMBL3706018 assay format
CHEMBL3655824 OBDepict CH 3 O Cl N CH 3 N N N CH 3 N N N F IC50 = 1.69 nM 427.87 COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CC(F)C5)c34)cnn2C)c(Cl)c1 Homo sapiens CHEMBL3705549 single protein format
CHEMBL4877091 OBDepict OH N N N O N CH 3 H H CH 3 F F F Ki = 1.7 nM 366.34 Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)cc3)nn(CCO)c2c(=O)[nH]1 Homo sapiens CHEMBL4836282 single protein format
CHEMBL2313260 OBDepict O N H N N N N CH 3 Cl IC50 = 1.7 nM 441.92 Cc1nc2ccc(C(=O)NCCc3ccccc3)cc2n2c(-c3ccccc3Cl)nnc12 Homo sapiens CHEMBL2320477 cell-based format
CHEMBL4863742 OBDepict O N H N N N N CH 3 IC50 = 1.7 nM 393.45 Cc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3)nnc12 Homo sapiens CHEMBL4818348 single protein format
CHEMBL4754478 OBDepict CH 3 O O CH 3 N O H H H 3 C N N N N F F IC50 = 1.7 nM 431.44 COc1ccc(C(=O)N2CC[C@@H](C)[C@H](c3cc(C(F)F)nc4ncnn34)C2)cc1OC Homo sapiens CHEMBL4672632 cell-based format
CHEMBL2381190 OBDepict F N N N N N CH 3 N N CH 3 F Cl IC50 = 1.72 nM 415.84 Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cc2F)c2c(N3CC(F)C3)ncnn12 Homo sapiens CHEMBL2384422 cell-based format
CHEMBL4867298 OBDepict F N N N O N CH 3 H H CH 3 F F F Ki = 1.8 nM 368.33 Cc1nc2c([C@H](C)c3ccc(C(F)(F)F)cc3)nn(CCF)c2c(=O)[nH]1 Homo sapiens CHEMBL4836282 single protein format
CHEMBL3665541 OBDepict O N H S O O OH H 3 C H 3 C Ki = 1.8 nM 423.53 CC(C)(O)C#Cc1ccc2[nH]c(=O)c(-c3cccs3)c(OCC3CCOCC3)c2c1 Homo sapiens CHEMBL3705111 single protein format
CHEMBL2387427 OBDepict OH N N O N H N CH 3 H 3 C CH 3 O CH 3 O N CH 3 O CH 3 IC50 = 1.8 nM 493.56 COc1ccc(-c2cc(C3=Nc4c(C(C)(C)C)nn(CCO)c4C(=O)NC3)ccc2OC)c(OC)n1 Homo sapiens CHEMBL2388165 single protein format
CHEMBL4087945 OBDepict H 3 C N N N N N O N IC50 = 2.0 nM 372.43 Cc1cc(C2CCCN(C(=O)c3ccc4ncccc4c3)C2)n2ncnc2n1 Homo sapiens CHEMBL4008514 single protein format
CHEMBL3693267 OBDepict HO F N N N N CH 3 N CH 3 H 3 C IC50 = 2.0 nM 337.36 Cc1nc2ccc(C(C)C)nc2n2c(-c3cc(O)ccc3F)nnc12 Homo sapiens CHEMBL3706318 cell-based format
CHEMBL3693325 OBDepict H 3 C N N N N CH 3 N OH H 3 C H 3 C IC50 = 2.0 nM 401.51 Cc1ccc(CCC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(C4CC4)nc3n12 Homo sapiens CHEMBL3706318 cell-based format
CHEMBL3693349 OBDepict F N N N HO N H 3 C N H 3 C CH 3 IC50 = 2.0 nM 391.45 Cc1nc2ccc(C(C)C)nc2n2c(-c3cc(C4(O)CCC4)ccc3F)nnc12 Homo sapiens CHEMBL3706318 cell-based format
CHEMBL4059930 OBDepict CH 3 N N N N N F F O I F IC50 = 2.0 nM 501.25 Cc1cc(C2CN(C(=O)c3ccc(F)c(I)c3)CC(F)(F)C2)n2ncnc2n1 Homo sapiens CHEMBL4008514 single protein format
CHEMBL2381189 OBDepict CH 3 O N F F F CH 3 N N N CH 3 N N N F IC50 = 2.01 nM 461.42 COc1cc(C(F)(F)F)ccc1-c1c(-c2nc(C)n3ncnc(N4CC(F)C4)c23)cnn1C Homo sapiens CHEMBL2384422 cell-based format
CHEMBL3741841 OBDepict H 3 C O N N H 3 C F N N H 3 C F N IC50 = 2.06 nM 417.42 COc1cc(-c2cccnc2F)cc2c1nc(C)c1c(C)nc(-c3cccnc3F)n12 Homo sapiens CHEMBL3742722 single protein format
CHEMBL2070632 OBDepict CH 3 O N N N N N H 3 C Cl Cl IC50 = 2.06 nM 360.2 COc1ccc2nnc3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2n1 Homo sapiens CHEMBL2071881 single protein format
CHEMBL4783572 OBDepict O N N N N O CH 3 N N IC50 = 2.1 nM 388.43 CC(=O)n1ccc2cc(C(=O)N3CCCC(c4ccnc5ncnn45)C3)ccc21 Homo sapiens CHEMBL4672632 cell-based format
CHEMBL3676198 OBDepict H 3 C O N H O N N N N N CH 3 N N CH 3 IC50 < 2.11 nM 458.53 COC(=O)NC1CN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1 Homo sapiens CHEMBL3706018 assay format
CHEMBL3676221 OBDepict CH 3 N N N N CH 3 N N N CH 3 CH 3 IC50 = 2.16 nM 387.49 CC(C)c1ccc(-c2c(-c3nn(C)c4ncnc(N5CCC5)c34)cnn2C)cc1 Homo sapiens CHEMBL3706018 assay format
CHEMBL2313262 OBDepict O N H N N N N N CH 3 Cl IC50 = 2.2 nM 434.93 Cc1nc2ccc(C(=O)NCCN3CCCC3)cc2n2c(-c3ccccc3Cl)nnc12 Homo sapiens CHEMBL2320477 cell-based format
CHEMBL3655831 OBDepict N CH 3 N CH 3 N N N H 3 C N N N IC50 = 2.24 nM 384.45 Cc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)c(C#N)c1 Homo sapiens CHEMBL3705549 single protein format
CHEMBL2381192 OBDepict CH 3 N N N N CH 3 N N N F F F IC50 = 2.3 nM 413.41 Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL2384422 cell-based format
CHEMBL3655847 OBDepict CH 3 N N N N CH 3 N N N F F F CH 3 H 3 C IC50 = 2.3 nM 401.4 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(N(C)C)ncnn12 Homo sapiens CHEMBL3705549 single protein format
CHEMBL4208160 OBDepict H 3 C N N N N N H 3 C N N F F F IC50 = 2.3 nM 413.41 Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cn2)c2c(C3CCC3)ncnn12 Homo sapiens CHEMBL4194548 cell-based format
CHEMBL3655790 OBDepict CH 3 O N CH 3 N N N CH 3 N N N IC50 = 2.33 nM 375.44 COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CCC5)c34)cnn2C)cc1 Homo sapiens CHEMBL3705549 single protein format
CHEMBL4088306 OBDepict H 3 C O O H 3 C N N N H O N H 3 C H HO CH 3 H OH IC50 = 2.4 nM 492.58 COc1ccc(Cc2nn3c([C@@H](CCC(O)c4ccccc4)[C@@H](C)O)nc(C)c3c(=O)[nH]2)cc1OC Homo sapiens CHEMBL4049137 single protein format
CHEMBL3676204 OBDepict CH 3 N N N N N N N CH 3 S O O IC50 = 2.47 nM 517.66 Cn1ncc(-c2nn(C)c3ncnc(N4CCC(S(=O)(=O)CC5CC5)C4)c23)c1-c1ccc(C2CC2)cc1 Homo sapiens CHEMBL3706018 assay format
CHEMBL2387428 OBDepict HO N N O N H N H 3 C H 3 C CH 3 O CH 3 N N N CH 3 CH 3 IC50 = 2.5 nM 477.57 COc1ccc(C2=Nc3c(C(C)(C)C)nn(CCO)c3C(=O)NC2)cc1-c1cnc(N(C)C)nc1 Homo sapiens CHEMBL2388165 single protein format
CHEMBL2387429 OBDepict OH N N O N H N CH 3 CH 3 H 3 C O H 3 C N N N IC50 = 2.5 nM 517.63 COc1ccc(C2=Nc3c(C(C)(C)C)nn(CCO)c3C(=O)NC2)cc1-c1cnc(N2CCCCC2)nc1 Homo sapiens CHEMBL2388165 single protein format