Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50263753'   

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))	BDBM50263753 (CHEMBL4065163) Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(Cl)cc1 |(27.17,-14.96,;25.93,-15.87,;25.94,-17.41,;24.48,-17.89,;24,-19.36,;23.56,-16.65,;24.46,-15.4,;23.98,-13.94,;24.88,-12.68,;23.98,-11.44,;24.45,-9.98,;22.51,-11.92,;22.52,-13.46,;21.19,-14.23,;19.85,-13.47,;18.52,-14.25,;19.84,-11.93,;21.17,-11.15,;21.17,-9.61,;22.02,-16.65,;21.26,-15.32,;19.72,-15.32,;18.94,-16.66,;17.4,-16.67,;19.72,-17.99,;21.26,-17.99,)| Show InChI InChI=1S/C18H17ClN6O/c1-9-14(16(24(4)22-9)12-5-7-13(19)8-6-12)17-20-10(2)15-18(26)21-11(3)23-25(15)17/h5-8H,1-4H3,(H,21,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	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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