Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50050589'   

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))	BDBM50050589 (1,3-Dimethyl-6-[5-(5-phenyl-1H-[1,2,4]triazol-3-yl...) Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)-c1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C24H23N7O2/c1-4-12-33-18-11-10-16(21-25-20(28-29-21)15-8-6-5-7-9-15)13-17(18)22-26-23-19(24(32)27-22)14(2)30-31(23)3/h5-11,13H,4,12H2,1-3H3,(H,25,28,29)(H,26,27,32)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Laboratories Glaxo Wellcome Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5 from human				J Med Chem 39: 1635-44 (1996) Article DOI: 10.1021/jm950812j BindingDB Entry DOI: 10.7270/Q2057F1T
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