Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50040378'   

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-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50040378 (CHEMBL144978 | N-(1,3-Bis-cyclopropylmethyl-7-meth...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2n1C Show InChI InChI=1S/C21H25N5O5S/c1-24-17-18(22-20(24)23-32(29,30)16-9-7-15(31-2)8-10-16)25(11-13-3-4-13)21(28)26(19(17)27)12-14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme at 100 microM.				J Med Chem 37: 476-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26X6N
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