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P54750 | PDE1A_HUMAN | "Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A" (PDE1A)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL3678507 OBDepict CH 3 O N N N H N O N N H 3 C CH 3 CH 3 H 3 C F Ki = 0.1 nM 474.54 CC(=O)c1ccc(Cn2nc3c(c2Nc2ccc(F)c(C)c2)C(=O)N(C)C2=NC(C)(C)CN23)cc1 Homo sapiens CHEMBL3706314 cell-based format
CHEMBL3678504 OBDepict F N H N N N O N H 3 C N CH 3 CH 3 O CH 3 Ki = 0.2 nM 460.51 CC(=O)c1ccc(Cn2nc3c(c2Nc2ccc(F)cc2)C(=O)N(C)C2=NC(C)(C)CN23)cc1 Homo sapiens CHEMBL3706314 cell-based format
CHEMBL3678506 OBDepict CH 3 O N N N H N O N N H 3 C CH 3 CH 3 F F Ki = 0.3 nM 478.5 CC(=O)c1ccc(Cn2nc3c(c2Nc2ccc(F)c(F)c2)C(=O)N(C)C2=NC(C)(C)CN23)cc1 Homo sapiens CHEMBL3706314 cell-based format
CHEMBL3678505 OBDepict F N H N N N O N H 3 C N CH 3 CH 3 OH CH 3 Ki = 0.5 nM 462.53 CC(O)c1ccc(Cn2nc3c(c2Nc2ccc(F)cc2)C(=O)N(C)C2=NC(C)(C)CN23)cc1 Homo sapiens CHEMBL3706314 cell-based format
CHEMBL3601563 OBDepict CH 3 O O CH 3 N H Cl IC50 = 2.0 nM 339.82 COc1ccc2c([C@H]3CCc4ccc(Cl)cc43)nccc2c1OC Homo sapiens CHEMBL3602930 single protein format
CHEMBL4128481 OBDepict CH 3 O O N CH 3 N N H H 3 C H N N H CH 3 IC50 = 42.0 nM 327.39 COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122465 single protein format
CHEMBL512790 OBDepict Cl N N H O N N H 3 C CH 3 H IC50 = 54.0 nM 302.76 CC(C)c1n[nH]c2c(=O)[nH]c(Cc3cccc(Cl)c3)nc12 Homo sapiens CHEMBL966924 single protein format
CHEMBL3401745 OBDepict H 3 C N N N CH 3 N O H O S N H O O HO CH 3 IC50 = 62.0 nM 491.61 CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCCCCCO)ccc3OCC)nc12 Homo sapiens CHEMBL3405812 single protein format
CHEMBL4127641 OBDepict CH 3 O O N H 3 C N N H CH 3 N N H H 3 C IC50 = 118.0 nM 327.39 COc1ccc2c(NC(C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122465 single protein format
CHEMBL2431822 OBDepict F F N N N N CH 3 H N IC50 = 452.0 nM 387.39 C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc(F)c(F)c3)nn12 Homo sapiens CHEMBL2433337 single protein format
CHEMBL2431826 OBDepict N N N N N H 3 C H N IC50 = 462.0 nM 376.42 C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cccc(C#N)c3)nn12 Homo sapiens CHEMBL2433337 single protein format
CHEMBL2431819 OBDepict H 3 C N N N N N N H 3 C H N IC50 = 580.0 nM 355.41 C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cnn(C)c3)nn12 Homo sapiens CHEMBL2433337 single protein format
CHEMBL192 OBDepict H 3 C N N N CH 3 N O H O S N O O N H 3 C CH 3 IC50 = 600.0 nM 474.59 CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 Homo sapiens CHEMBL3405812 single protein format
CHEMBL4129844 OBDepict CH 3 O O N CH 3 N N H H 3 C H N N H CH 3 IC50 = 777.0 nM 327.39 COc1ccc2c(N[C@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC Homo sapiens CHEMBL4122465 single protein format
CHEMBL466474 OBDepict H 3 C H 3 C N N N CH 3 N O H O N O IC50 = 790.0 nM 411.51 CC(C)c1nn(C)c2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12 Homo sapiens CHEMBL966924 single protein format