Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50040344'   

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))	BDBM50040344 (8-Amino-1,3-bis-cyclopropylmethyl-7-(propane-2-sul...) Show SMILES CC(C)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C16H23N5O4S/c1-9(2)26(24,25)21-12-13(18-15(21)17)19(7-10-3-4-10)16(23)20(14(12)22)8-11-5-6-11/h9-11H,3-8H2,1-2H3,(H2,17,18)	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	3.80E+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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