Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50170540'   

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))	BDBM50170540 (6-(4-Acetyl-2-ethyl-5-hydroxy-phenoxymethyl)-pyrid...) Show SMILES CCc1cc(C(C)=O)c(O)cc1OCc1cccc(n1)C(=O)NCCCCCCCCCC(=O)NO Show InChI InChI=1S/C27H37N3O6/c1-3-20-16-22(19(2)31)24(32)17-25(20)36-18-21-12-11-13-23(29-21)27(34)28-15-10-8-6-4-5-7-9-14-26(33)30-35/h11-13,16-17,32,35H,3-10,14-15,18H2,1-2H3,(H,28,34)(H,30,33)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against Phosphodiesterase type 5				Bioorg Med Chem Lett 15: 4085-90 (2005) Article DOI: 10.1016/j.bmcl.2005.06.016 BindingDB Entry DOI: 10.7270/Q22B8XKH
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