Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50100678'   

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 (Canis lupus familiaris)	BDBM50100678 (2-(4-Amino-phenyl)-4-(4-hydroxy-3,5-dimethoxy-phen...) Show SMILES COC(=O)c1c(-c2cc(OC)c(O)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 Show InChI InChI=1S/C31H27N3O7/c1-38-25-14-18(15-26(39-2)29(25)35)27-23-12-11-22(41-17-20-6-4-5-13-33-20)16-24(23)30(36)34(28(27)31(37)40-3)21-9-7-19(32)8-10-21/h4-16,35H,17,32H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)				J Med Chem 44: 2204-18 (2001) BindingDB Entry DOI: 10.7270/Q2QR4XT5
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