Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50286731'   

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))	BDBM50286731 (CHEMBL4171712) Show SMILES Cc1nc(-c2c(CO)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2nc(C)[nH]c(=O)c12 |(21.28,-18.73,;20.8,-17.27,;21.69,-16.02,;20.78,-14.79,;21.25,-13.32,;20.34,-12.07,;18.8,-12.08,;18.02,-10.75,;21.23,-10.82,;22.7,-11.29,;23.94,-10.38,;22.71,-12.83,;23.95,-13.73,;23.8,-15.26,;25.05,-16.16,;26.45,-15.52,;26.6,-13.98,;25.35,-13.09,;27.7,-16.42,;27.55,-17.95,;29.11,-15.79,;29.03,-17.19,;19.33,-15.27,;18,-14.49,;16.67,-15.27,;15.33,-14.5,;16.67,-16.81,;18,-17.57,;18,-19.11,;19.33,-16.8,)| Show InChI InChI=1S/C19H17F3N6O2/c1-9-15-18(30)24-10(2)25-28(15)17(23-9)14-13(8-29)26-27(3)16(14)11-4-6-12(7-5-11)19(20,21)22/h4-7,29H,8H2,1-3H3,(H,24,25,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	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 measured after 30 mins by Yttrium silicate scintillation proximity assay				ACS Med Chem Lett 9: 68-72 (2018) Article DOI: 10.1021/acsmedchemlett.7b00343 BindingDB Entry DOI: 10.7270/Q2MG7S23
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