Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50169632'   

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))	BDBM50169632 (3-Cyclopentyl-6-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...) Show SMILES CCOc1ccc(cc1-c1nn2c(nnc2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C23H31N7O5S/c1-2-35-19-8-7-17(36(33,34)29-11-9-28(10-12-29)13-14-31)15-18(19)20-24-23(32)22-26-25-21(30(22)27-20)16-5-3-4-6-16/h7-8,15-16,31H,2-6,9-14H2,1H3,(H,24,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	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
					More data for this Ligand-Target Pair				3D Structure (docked)