Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50040367'   

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))	BDBM50040367 (8-Amino-1,3-bis-cyclopropylmethyl-7-(2,5-dimethoxy...) Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)n1c(N)nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c12 Show InChI InChI=1S/C21H25N5O6S/c1-31-14-7-8-15(32-2)16(9-14)33(29,30)26-17-18(23-20(26)22)24(10-12-3-4-12)21(28)25(19(17)27)11-13-5-6-13/h7-9,12-13H,3-6,10-11H2,1-2H3,(H2,22,23)	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	4.00E+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
					More data for this Ligand-Target Pair