Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50263754'   

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))	BDBM50263754 (CHEMBL4100565) Show SMILES Cc1nc(-c2c(CO)nn(C)c2-c2ccc(Cl)cc2)n2nc(C)[nH]c(=O)c12 |(26.26,-9.92,;25.78,-11.39,;26.7,-12.62,;25.8,-13.88,;26.28,-15.34,;27.74,-15.81,;28.99,-14.9,;30.4,-15.52,;27.75,-17.35,;26.29,-17.83,;25.82,-19.3,;25.38,-16.59,;23.84,-16.59,;23.06,-15.26,;21.52,-15.27,;20.76,-16.6,;19.22,-16.61,;21.53,-17.93,;23.07,-17.93,;24.33,-13.41,;23,-14.18,;21.67,-13.41,;20.33,-14.19,;21.66,-11.87,;22.99,-11.1,;22.98,-9.56,;24.32,-11.87,)| Show InChI InChI=1S/C18H17ClN6O2/c1-9-15-18(27)21-10(2)22-25(15)17(20-9)14-13(8-26)23-24(3)16(14)11-4-6-12(19)7-5-11/h4-7,26H,8H2,1-3H3,(H,21,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	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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