Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50117720'   

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))	BDBM50117720 (8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...) Show SMILES CCCCCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-5-7-8-9-12-31-23-21(24(32)29(4)25(31)33)26-22(27-23)19-17-18(10-11-20(19)36-6-2)37(34,35)30-15-13-28(3)14-16-30/h10-11,17H,5-9,12-16H2,1-4H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
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