Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50263776'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50263776 (CHEMBL4095982) Show SMILES COc1ccc(cn1)-c1c(c(C)nn1C)-c1nc(CO)c2n1nc(C)[nH]c2=O |(15.41,-17.93,;16.18,-16.6,;17.72,-16.58,;18.48,-15.24,;20.02,-15.24,;20.8,-16.56,;20.04,-17.9,;18.49,-17.91,;22.34,-16.55,;23.24,-15.3,;24.71,-15.77,;25.95,-14.85,;24.72,-17.31,;23.26,-17.79,;22.79,-19.26,;22.75,-13.84,;23.64,-12.58,;22.73,-11.34,;23.2,-9.87,;22.16,-8.74,;21.27,-11.83,;21.28,-13.37,;19.95,-14.15,;18.61,-13.39,;17.29,-14.17,;18.61,-11.85,;19.94,-11.07,;19.92,-9.53,)| Show InChI InChI=1S/C18H19N7O3/c1-9-14(15(24(3)22-9)11-5-6-13(28-4)19-7-11)17-21-12(8-26)16-18(27)20-10(2)23-25(16)17/h5-7,26H,8H2,1-4H3,(H,20,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 61: 3626-3640 (2018) Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X
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