Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50050610'   

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))	BDBM50050610 (1-Ethyl-3-methyl-6-[5-(2-methyl-thiazol-4-yl)-2-pr...) Show SMILES CCCOc1ccc(cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1)-c1csc(C)n1 Show InChI InChI=1S/C21H23N5O2S/c1-5-9-28-17-8-7-14(16-11-29-13(4)22-16)10-15(17)19-23-20-18(21(27)24-19)12(3)25-26(20)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,23,24,27)	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	3	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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