Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50425140'   

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))	BDBM50425140 (CHEMBL2313250) Show SMILES CCNC(=O)c1ccc2nc(C)c3nnc(-c4c(Cl)cccc4Cl)n3c2c1 |(41.13,-18.18,;39.8,-18.95,;38.47,-18.18,;37.13,-18.95,;37.14,-20.49,;35.8,-18.19,;34.46,-18.96,;33.13,-18.19,;33.13,-16.64,;31.79,-15.89,;31.79,-14.35,;30.45,-13.58,;33.12,-13.58,;33.44,-12.07,;34.97,-11.9,;35.6,-13.31,;37.1,-13.63,;38.12,-12.48,;37.64,-11.02,;39.63,-12.79,;40.11,-14.26,;39.08,-15.41,;37.58,-15.09,;36.55,-16.24,;34.45,-14.34,;34.46,-15.87,;35.79,-16.64,)| Show InChI InChI=1S/C19H15Cl2N5O/c1-3-22-19(27)11-7-8-14-15(9-11)26-17(10(2)23-14)24-25-18(26)16-12(20)5-4-6-13(16)21/h4-9H,3H2,1-2H3,(H,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay				Bioorg Med Chem Lett 23: 785-90 (2013) Article DOI: 10.1016/j.bmcl.2012.11.077 BindingDB Entry DOI: 10.7270/Q2C82BMR
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