Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50300959'   

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))	BDBM50300959 (3-(2-hydroxyethylamino)-7-(6-methoxypyridin-3-yl)-...) Show SMILES CCCOCCn1c2cc(cnc2nc(NCCO)c1=O)-c1ccc(OC)nc1 Show InChI InChI=1S/C20H25N5O4/c1-3-9-29-10-7-25-16-11-15(14-4-5-17(28-2)22-12-14)13-23-18(16)24-19(20(25)27)21-6-8-26/h4-5,11-13,26H,3,6-10H2,1-2H3,(H,21,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 19: 5209-13 (2009) Article DOI: 10.1016/j.bmcl.2009.07.019 BindingDB Entry DOI: 10.7270/Q2H41RHV
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