Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50125146'   

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))	BDBM50125146 (4-{3-[5-(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydr...) Show SMILES OC(=O)CCCC(=O)Nc1cccc(c1)-c1ccc(o1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc2OCOc2c1 Show InChI InChI=1S/C34H29N3O7/c38-30(9-4-10-31(39)40)35-22-6-3-5-20(17-22)26-13-14-28(44-26)34(41)37-16-15-24-23-7-1-2-8-25(23)36-32(24)33(37)21-11-12-27-29(18-21)43-19-42-27/h1-3,5-8,11-14,17-18,33,36H,4,9-10,15-16,19H2,(H,35,38)(H,39,40)	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	95	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of PDE5 (Phosphodiesterase) from human corpus cavernosum				Bioorg Med Chem Lett 13: 761-5 (2003) BindingDB Entry DOI: 10.7270/Q29886CM
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