Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50169636'   

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))	BDBM50169636 (3-Cyclopentyl-6-(2-ethoxy-phenyl)-7H-[1,2,4]triazo...) Show SMILES CCOc1ccccc1-c1nn2c(nnc2c(=O)[nH]1)C1CCCC1 Show InChI InChI=1S/C17H19N5O2/c1-2-24-13-10-6-5-9-12(13)14-18-17(23)16-20-19-15(22(16)21-14)11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
BAYER HealthCare AG Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5				Bioorg Med Chem Lett 15: 3900-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.090 BindingDB Entry DOI: 10.7270/Q2XS5TWD
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