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O76083 | PDE9A_HUMAN | "High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A" (PDE9A)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL3360415 OBDepict CH 3 O NH O NH H 3 C H N N H N O N IC50 = 0.6 nM 396.45 COc1ccc(NC(=O)[C@@H](C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1 Homo sapiens CHEMBL3383761 single protein format
CHEMBL2179099 OBDepict F N H CH 3 H N N H N O N O IC50 = 0.9 nM 411.48 C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL2179093 OBDepict H N N O N N O IC50 = 1.0 nM 310.36 O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL3360419 OBDepict CH 3 O NH O NH H 3 C H N N H N O N CH 3 H 3 C IC50 = 1.05 nM 370.41 COc1ccc(NC(=O)[C@@H](C)Nc2nc3c(cnn3C(C)C)c(=O)[nH]2)cc1 Homo sapiens CHEMBL3383761 single protein format
CHEMBL3360421 OBDepict O NH HN CH 3 H N N H N O F N IC50 = 1.1 nM 384.42 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)Nc1ccc(F)cc1 Homo sapiens CHEMBL3383761 single protein format
CHEMBL2177125 OBDepict F N H CH 3 H N N H N O N O IC50 = 1.2 nM 411.48 C[C@@H]1CN(Cc2cccc(F)c2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL3676170 OBDepict CH 3 O N N O N H 3 C CH 3 H N O IC50 = 1.2 nM 368.44 COc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n12 Homo sapiens CHEMBL3706015 single protein format
CHEMBL2179096 OBDepict H 3 C H N H N N H N O N O IC50 = 1.7 nM 407.52 CC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL583914 OBDepict O N H N N N H N H H 3 C N N IC50 = 1.8 nM 429.53 C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL1047621 cell-based format
CHEMBL4638644 OBDepict O NH HN CH 3 H N N H N O N N N H IC50 = 1.8 nM 406.45 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)Nc1ccc2[nH]ncc2c1 Homo sapiens CHEMBL4624669 single protein format
CHEMBL565667 OBDepict O N H N N N H N H H 3 C N N IC50 = 1.9 nM 429.53 C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL1047621 cell-based format
CHEMBL3676175 OBDepict CH 3 N N H O N O HO IC50 = 2.0 nM 285.3 CCc1ccc2c(c1)[nH]c(=O)c1cnc(CCC(=O)O)n12 Homo sapiens CHEMBL3706015 single protein format
CHEMBL3676176 OBDepict OH O N N N O H F F F IC50 = 2.0 nM 325.25 O=C(O)CCc1ncc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12 Homo sapiens CHEMBL3706015 single protein format
CHEMBL4642683 OBDepict O NH HN CH 3 H N N H N N O N N H IC50 = 2.0 nM 406.45 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)Nc1ccc2[nH]cnc2c1 Homo sapiens CHEMBL4624669 single protein format
CHEMBL3693832 OBDepict F N N N N H CH 3 N O N O IC50 = 2.0 nM 408.44 Cn1cc(-c2ccc(F)cc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cn1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL4640285 OBDepict O HN NH H 3 C H N N N H N O N N IC50 = 2.1 nM 406.45 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)Nc1ccc2nccn2c1 Homo sapiens CHEMBL4624669 single protein format
CHEMBL572934 OBDepict H N N O N N IC50 = 2.1 nM 294.36 O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCCC1 Homo sapiens CHEMBL1047621 cell-based format
CHEMBL3938847 OBDepict H N O N N H 3 C H N N N O IC50 = 2.24 nM 430.51 C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2ccc3ccccc3n2)C1 Homo sapiens CHEMBL3879918 single protein format
CHEMBL4249954 OBDepict H 3 C N N N OH N N N N IC50 = 2.8 nM 429.53 CC1CN(Cc2ccc3nccnc3c2)CC1c1nc(O)c2cnn(C3CCCC3)c2n1 Homo sapiens CHEMBL4231523 cell-based format
CHEMBL3360416 OBDepict CH 3 O NH O NH H 3 C H N N H N O N IC50 = 3.0 nM 396.45 COc1ccc(NC(=O)[C@H](C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1 Homo sapiens CHEMBL3383761 single protein format
CHEMBL3676174 OBDepict HO O N N O N H Br IC50 = 3.0 nM 336.15 O=C(O)CCc1ncc2c(=O)[nH]c3cc(Br)ccc3n12 Homo sapiens CHEMBL3706015 single protein format
CHEMBL3693831 OBDepict H N CH 3 N N N N H N O N O IC50 = 3.0 nM 391.44 Cc1nnc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)[nH]1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3676172 OBDepict H 3 C N CH 3 O Cl N H N O N IC50 = 3.0 nM 372.86 CN(C)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl Homo sapiens CHEMBL3706015 single protein format
CHEMBL3676171 OBDepict CH 3 O N N O N H 3 C CH 3 H N O IC50 = 3.4 nM 382.46 CCOc1cc2c(cc1C(=O)N(C)C)[nH]c(=O)c1cnc(C3CCCCC3)n12 Homo sapiens CHEMBL3706015 single protein format
CHEMBL2179100 OBDepict CH 3 O N H H H 3 C N N H N O N O IC50 = 3.4 nM 423.52 COc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)cc1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL2179102 OBDepict CH 3 N N H H 3 C H N N H N O N O IC50 = 3.8 nM 408.51 Cc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)cn1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL3924370 OBDepict H 3 C N H 3 C N O N H 3 C N N H N O N IC50 = 3.81 nM 409.49 Cc1cc(C)nc(OC2CN(C(C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1 Homo sapiens CHEMBL3879919 cell-based format
CHEMBL3693853 OBDepict H 3 C O N N N H N O N O IC50 = 4.0 nM 417.47 COc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)nc1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3905237 OBDepict H N N O N N N F F IC50 = 4.0 nM 385.42 O=c1[nH]c(C2CCC2c2ccccn2)nc2c1cnn2C1CCC(F)(F)CC1 Homo sapiens CHEMBL3888365 cell-based format
CHEMBL3903464 OBDepict H 3 C N N N H N O O N N H 3 C N O IC50 = 4.56 nM 461.53 Cc1nc2ccccc2nc1OC1CN(C(C)c2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)C1 Homo sapiens CHEMBL3879919 cell-based format
CHEMBL2179104 OBDepict CH 3 N N N H H 3 C H N N H N O N O IC50 = 4.6 nM 409.49 Cc1ncc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)cn1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL2179098 OBDepict F N H CH 3 H N N H N O N O IC50 = 4.6 nM 411.48 C[C@@H]1CN(Cc2ccccc2F)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL3896565 OBDepict H 3 C N N N H N O O N N N O IC50 = 4.63 nM 447.5 CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2nncc3ccccc23)C1 Homo sapiens CHEMBL3879919 cell-based format
CHEMBL2179094 OBDepict H N O N H N N N H H 3 C O IC50 = 4.9 nM 393.49 C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL3671263 OBDepict CH 3 N N N N O H IC50 = 5.0 nM 308.39 Cc1ccccc1-n1ncc2c(=O)[nH]c(CC3CCCC3)nc21 Homo sapiens CHEMBL3705954 single protein format
CHEMBL3693817 OBDepict H N N O N N N O N O IC50 = 5.0 nM 472.55 O=c1[nH]c(Cc2ccccc2-c2ccc(N3CCOCC3)nc2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3693814 OBDepict CH 3 O N N N H N O N O IC50 = 5.0 nM 417.47 COc1cncc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)c1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3940037 OBDepict H 3 C N S N H H N N H N O N F F IC50 = 5.0 nM 406.46 Cc1nnc([C@H]2CC[C@@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)s1 Homo sapiens CHEMBL3888365 cell-based format
CHEMBL3693826 OBDepict CH 3 N N N N H N O N O IC50 = 5.0 nM 390.45 Cn1cc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cn1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3975883 OBDepict H 3 C N N H H N N H N O N F F IC50 = 5.0 nM 400.43 Cc1cnc([C@H]2CC[C@@H]2c2nc3c(cnn3C3CCC(F)(F)CC3)c(=O)[nH]2)nc1 Homo sapiens CHEMBL3888365 cell-based format
CHEMBL3693849 OBDepict Cl N N N N H N O N O IC50 = 5.0 nM 410.87 O=c1[nH]c(Cc2cc(Cl)ccc2-n2cccn2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL4115313 OBDepict H 3 C O H 3 C N H H N N H N O N O IC50 = 5.0 nM 369.43 Cc1nc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)oc1C Homo sapiens CHEMBL3888365 cell-based format
CHEMBL3661034 OBDepict H N N O N N IC50 = 5.0 nM 300.41 O=c1[nH]c(CC2CCCCC2)nc2c1cnn2C1CCCC1 Homo sapiens CHEMBL3707710 single protein format
CHEMBL3693833 OBDepict H N N O N N N O IC50 = 5.0 nM 387.44 O=c1[nH]c(Cc2ccccc2-c2ccccn2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3693825 OBDepict H N N O N N N N O N O IC50 = 5.0 nM 473.54 O=c1[nH]c(Cc2ccccc2-c2cnc(N3CCOCC3)nc2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3904471 OBDepict H 3 C O N H 3 C H N N H N O N IC50 = 5.37 nM 393.49 Cc1ccc(OC2CN([C@@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cc1 Homo sapiens CHEMBL3879919 cell-based format
CHEMBL3900728 OBDepict H 3 C N N N H N O O N N O N IC50 = 5.41 nM 447.5 CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc3cccnc3n2)C1 Homo sapiens CHEMBL3879919 cell-based format
CHEMBL3360414 OBDepict CH 3 O N H O N H N N H N O N IC50 = 5.5 nM 382.42 COc1ccc(NC(=O)CNc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1 Homo sapiens CHEMBL3383761 single protein format
CHEMBL3693828 OBDepict H N N N N H N O N O IC50 = 6.0 nM 376.42 O=c1[nH]c(Cc2ccccc2-c2cc[nH]n2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3693819 OBDepict CH 3 O N N N H N O N O IC50 = 6.0 nM 417.47 COc1cc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)ccn1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3693834 OBDepict F N N N H N O N O IC50 = 6.0 nM 405.43 O=c1[nH]c(Cc2ccccc2-c2ccc(F)cn2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3693822 OBDepict F N N N H N O N O IC50 = 6.0 nM 405.43 O=c1[nH]c(Cc2ccccc2-c2ccnc(F)c2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3661037 OBDepict O N H N N N IC50 = 6.0 nM 284.36 O=c1[nH]c(CC2C=CCC2)nc2c1cnn2C1CCCC1 Homo sapiens CHEMBL3707710 single protein format
CHEMBL3693815 OBDepict N N N N H N O N O IC50 = 6.0 nM 412.45 N#Cc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cn1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL2179101 OBDepict H N O N H N N N H H 3 C N O IC50 = 6.3 nM 394.48 C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL3360412 OBDepict CH 3 O N H O N H H 3 C H N N H N O N Cl IC50 = 6.4 nM 438.88 COc1ccc(NC(=O)[C@@H](C)Nc2nc3c(cnn3-c3ccccc3Cl)c(=O)[nH]2)cc1 Homo sapiens CHEMBL3383761 single protein format
CHEMBL3693830 OBDepict CH 3 O N N N N H N O N O IC50 = 7.0 nM 392.42 Cc1nc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)no1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL4109040 OBDepict H N O N H N N H N F F IC50 = 7.0 nM 385.42 O=c1[nH]c([C@@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCC(F)(F)CC1 Homo sapiens CHEMBL3888365 cell-based format
CHEMBL4644757 OBDepict O NH HN CH 3 H N N N H N O F N IC50 = 7.0 nM 385.4 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)Nc1ccc(F)nc1 Homo sapiens CHEMBL4624669 single protein format
CHEMBL466280 OBDepict HO O N N F F F N H H H N N H O N N H 3 C CH 3 H IC50 = 7.0 nM 479.46 CC(C)c1n[nH]c2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3Nc3ncc(C(=O)O)c(C(F)(F)F)n3)nc12 Homo sapiens CHEMBL966923 cell-based format
CHEMBL3693851 OBDepict Cl N N N N H H 3 C N O N O IC50 = 7.0 nM 424.89 Cc1ccn(-c2ccc(Cl)cc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL2180069 OBDepict H N O N N H 3 C H N N O O N N IC50 = 7.0 nM 397.44 C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ncccn2)C1 Homo sapiens CHEMBL2185164 single protein format
CHEMBL3984941 OBDepict H N O N H N N H N N F F IC50 = 7.0 nM 386.41 O=c1[nH]c([C@H]2CC[C@@H]2c2ncccn2)nc2c1cnn2C1CCC(F)(F)CC1 Homo sapiens CHEMBL3888365 cell-based format
CHEMBL3693852 OBDepict H N N O N N N O O IC50 = 7.0 nM 457.53 O=c1[nH]c(Cc2ccccc2-c2cccc(OC3CCC3)n2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3976514 OBDepict H 3 C N H 3 C N O N H 3 C N N H N O N O IC50 = 7.45 nM 425.49 Cc1cc(C)nc(OC2CN(C(C)c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)n1 Homo sapiens CHEMBL3879919 cell-based format
CHEMBL3963371 OBDepict H N O N N H 3 C H N N N IC50 = 7.81 nM 414.51 C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ccc3ccccc3n2)C1 Homo sapiens CHEMBL3879918 single protein format
CHEMBL3676177 OBDepict OH O N N O H F F F IC50 = 8.0 nM 322.24 O=C(O)/C=C/c1ccc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12 Homo sapiens CHEMBL3706015 single protein format
CHEMBL3676173 OBDepict OH N N O Cl N H N O N IC50 = 8.0 nM 457.96 O=C(c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl)N1CCN(CCO)CC1 Homo sapiens CHEMBL3706015 single protein format
CHEMBL3693855 OBDepict CH 3 N N N H N O N O IC50 = 8.0 nM 401.47 Cc1ccc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)nc1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3693821 OBDepict H 3 C O N N N N H N O N O IC50 = 8.0 nM 418.46 COc1ncc(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)cn1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3932840 OBDepict H 3 C O O S N CH 3 N N N H O N O IC50 = 8.0 nM 457.56 COC(=O)c1ccc(CN2CC(C)C(c3nn4c(C5CCOCC5)ncc4c(=O)[nH]3)C2)s1 Homo sapiens CHEMBL3889030 single protein format
CHEMBL3360417 OBDepict H 3 C O N H O N H H N N H 3 C CH 3 H N O N IC50 = 8.1 nM 438.53 COc1ccc(NC(=O)[C@@H](CC(C)C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1 Homo sapiens CHEMBL3383761 single protein format
CHEMBL2179105 OBDepict H N O N H N N N H H 3 C N N O IC50 = 8.3 nM 395.47 C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL3964410 OBDepict H 3 C N N N H N O O N N N O IC50 = 8.47 nM 447.5 CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2cnc3ccccc3n2)C1 Homo sapiens CHEMBL3879918 single protein format
CHEMBL4580164 OBDepict O N N H CH 3 H N N H F H N O N IC50 = 8.7 nM 362.41 C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CC[C@H](F)C1 Homo sapiens CHEMBL4385807 assay format
CHEMBL3693820 OBDepict O N H N N N O N O IC50 = 9.0 nM 493.57 O=c1[nH]c(Cc2ccccc2-c2ccc(OCc3ccccc3)nc2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3891006 OBDepict CH 3 N N H 3 C H N N H N O N O IC50 = 9.33 nM 394.48 Cc1cccc(C2CN([C@H](C)c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)n1 Homo sapiens CHEMBL3879918 single protein format
CHEMBL3943305 OBDepict H N O N N CH 3 H N N O N N IC50 = 9.49 nM 381.44 C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2ncccn2)C1 Homo sapiens CHEMBL3879919 cell-based format
CHEMBL3912447 OBDepict H N N O N N N O O IC50 = 9.71 nM 421.5 O=c1[nH]c(C(C2CC2)N2CC(Oc3ccccc3)C2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3879918 single protein format
CHEMBL512790 OBDepict Cl N N H O N N H 3 C CH 3 H IC50 = 10.0 nM 302.76 CC(C)c1n[nH]c2c(=O)[nH]c(Cc3cccc(Cl)c3)nc12 Homo sapiens CHEMBL966923 cell-based format
CHEMBL3676168 OBDepict Cl N N H O N H 3 C CH 3 IC50 = 10.0 nM 261.71 CC(C)c1ncc2c(=O)[nH]c3cc(Cl)ccc3n12 Homo sapiens CHEMBL3706015 single protein format
CHEMBL3964599 OBDepict F O N N N N H O N O IC50 = 10.0 nM 413.45 O=c1[nH]c(CN2CC(OCc3ccc(F)cc3)C2)nn2c(C3CCOCC3)ncc12 Homo sapiens CHEMBL3889030 single protein format
CHEMBL3939685 OBDepict CH 3 N H 3 C N N H 3 C H N N H N O N O IC50 = 10.5 nM 409.49 Cc1cc(C)nc(C2CN([C@H](C)c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)n1 Homo sapiens CHEMBL3879918 single protein format
CHEMBL575791 OBDepict CH 3 N N CH 3 N H CH 3 H N N H N O N IC50 = 11.0 nM 395.51 Cc1cc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n(C)n1 Homo sapiens CHEMBL1047621 cell-based format
CHEMBL583064 OBDepict CH 3 O N N H CH 3 H N N H N O N IC50 = 11.0 nM 382.47 Cc1cc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)no1 Homo sapiens CHEMBL1047621 cell-based format
CHEMBL4106640 OBDepict H N O N H N N H N O IC50 = 11.0 nM 351.41 O=c1[nH]c([C@@H]2CC[C@H]2c2ccccn2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3888365 cell-based format
CHEMBL3983420 OBDepict CH 3 N N N N N O H N N IC50 = 11.0 nM 359.39 Cc1ccncc1-n1ncc2c(=O)[nH]c(C3CCC3c3ncccn3)nc21 Homo sapiens CHEMBL3888365 cell-based format
CHEMBL3693845 OBDepict CH 3 N N N N H N O N O IC50 = 11.0 nM 390.45 Cc1ccn(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL2180072 OBDepict H N O N N CH 3 H N N O IC50 = 11.0 nM 379.46 C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2ccccc2)C1 Homo sapiens CHEMBL2185164 single protein format
CHEMBL578033 OBDepict CH 3 N N N H H H 3 C N N H N O N IC50 = 11.0 nM 393.5 Cc1ncc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)cn1 Homo sapiens CHEMBL1047621 cell-based format
CHEMBL3693827 OBDepict F N N N H N O N O IC50 = 11.0 nM 405.43 O=c1[nH]c(Cc2ccccc2-c2ccc(F)nc2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3929841 OBDepict CH 3 N H 3 C N N H 3 C H N N H N O N IC50 = 11.5 nM 393.5 Cc1cc(C)nc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1 Homo sapiens CHEMBL3879918 single protein format
CHEMBL2179103 OBDepict CH 3 N N N H H 3 C H N N H N O N O IC50 = 12.0 nM 409.49 Cc1cnc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)cn1 Homo sapiens CHEMBL2185813 cell-based format
CHEMBL3671264 OBDepict H 3 C N N N N O H H H HO IC50 = 12.0 nM 338.41 Cc1ccccc1-n1ncc2c(=O)[nH]c(C[C@H]3CCCC[C@@H]3O)nc21 Homo sapiens CHEMBL3705954 single protein format
CHEMBL3968975 OBDepict CH 3 N N N N H O N F F F O IC50 = 12.0 nM 461.49 CC1CN(Cc2ccc(C(F)(F)F)cc2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1 Homo sapiens CHEMBL3889030 single protein format
CHEMBL3693818 OBDepict H N N O N N N O IC50 = 12.0 nM 387.44 O=c1[nH]c(Cc2ccccc2-c2ccncc2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL3693813 OBDepict H N N O N N N O IC50 = 12.0 nM 387.44 O=c1[nH]c(Cc2ccccc2-c2cccnc2)nc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format
CHEMBL566300 OBDepict O N H N N N H N H H 3 C N N IC50 = 12.0 nM 417.52 C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 Homo sapiens CHEMBL1047621 cell-based format
CHEMBL3671262 OBDepict Cl N Cl N N N O H IC50 = 12.0 nM 363.25 O=c1[nH]c(CC2CCCC2)nc2c1cnn2-c1cc(Cl)ccc1Cl Homo sapiens CHEMBL3705954 single protein format
CHEMBL3693824 OBDepict H N O N N N N O IC50 = 12.0 nM 387.44 O=c1[nH]c(Cc2ccccc2-c2cncnc2)cc2c1cnn2C1CCOCC1 Homo sapiens CHEMBL3706026 single protein format