Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50263738'   

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))	BDBM50263738 (CHEMBL4080264) Show SMILES COCc1nc(-c2c(C)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2nc(C)[nH]c(=O)c12 |(21.55,-5.75,;21.07,-7.21,;19.57,-7.53,;19.09,-9,;19.99,-10.25,;19.08,-11.49,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;21.02,-14.98,;19.55,-15.45,;19.07,-16.92,;18.65,-14.2,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.62,-9.47,)| Show InChI InChI=1S/C20H19F3N6O2/c1-10-15(16(28(3)26-10)12-5-7-13(8-6-12)20(21,22)23)18-25-14(9-31-4)17-19(30)24-11(2)27-29(17)18/h5-8H,9H2,1-4H3,(H,24,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	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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