Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50263780'   

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))	BDBM50263780 (CHEMBL4093549) Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cn1)C(F)(F)F |(26.28,-13.87,;25.04,-14.78,;25.04,-16.32,;23.57,-16.79,;23.1,-18.25,;22.67,-15.54,;23.58,-14.3,;23.1,-12.83,;24.01,-11.59,;23.11,-10.34,;23.59,-8.88,;22.57,-7.73,;21.64,-10.82,;21.64,-12.36,;20.31,-13.12,;18.98,-12.35,;17.65,-13.12,;18.98,-10.81,;20.31,-10.05,;20.31,-8.51,;21.13,-15.54,;20.36,-16.87,;18.82,-16.87,;18.06,-15.53,;18.83,-14.2,;20.37,-14.2,;16.51,-15.53,;16.51,-17.07,;15.18,-16.29,;15.75,-14.19,)| Show InChI InChI=1S/C18H16F3N7O2/c1-8-13(16-24-12(7-29)15-17(30)23-9(2)26-28(15)16)14(27(3)25-8)11-5-4-10(6-22-11)18(19,20)21/h4-6,29H,7H2,1-3H3,(H,23,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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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