Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50040363'   

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))	BDBM50040363 (1,3-Bis(cyclopropylmethyl)-8-bis[(phenylsulfonyl)a...) Show SMILES O=c1n(CC2CC2)c2nc([nH]c2c(=O)n1CC1CC1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H25N5O6S2/c31-23-21-22(28(15-17-11-12-17)25(32)29(23)16-18-13-14-18)27-24(26-21)30(37(33,34)19-7-3-1-4-8-19)38(35,36)20-9-5-2-6-10-20/h1-10,17-18H,11-16H2,(H,26,27)	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	2.00E+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
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