Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50263751'   

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))	BDBM50263751 (CHEMBL4071033) Show SMILES Cc1nn(C)c(c1-c1nc(C(F)F)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(26.88,-15.97,;25.65,-16.9,;25.68,-18.43,;24.22,-18.93,;23.77,-20.4,;23.3,-17.7,;24.18,-16.44,;23.68,-14.98,;24.56,-13.72,;23.64,-12.49,;24.09,-11.02,;23.1,-9.84,;25.61,-10.75,;22.18,-12.99,;22.2,-14.53,;20.88,-15.33,;19.54,-14.58,;18.22,-15.37,;19.51,-13.04,;20.83,-12.25,;20.81,-10.71,;21.75,-17.73,;21.01,-19.07,;19.47,-19.1,;18.68,-17.78,;19.42,-16.43,;20.96,-16.41,;17.13,-17.8,;16.73,-19.28,;15.64,-18.19,;16.34,-16.5,)| Show InChI InChI=1S/C19H15F5N6O/c1-8-12(14(29(3)27-8)10-4-6-11(7-5-10)19(22,23)24)17-26-13(16(20)21)15-18(31)25-9(2)28-30(15)17/h4-7,16H,1-3H3,(H,25,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0600	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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