Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50344327'   

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))	BDBM50344327 (2-benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]py...) Show SMILES COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c2cc(nn12)C(C)C Show InChI InChI=1S/C22H22N4O2/c1-15(2)19-13-20-17(9-12-22(28-3)26(20)24-19)18-10-11-21(27)25(23-18)14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3	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	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heriot-Watt University Curated by ChEMBL					Assay Description Inhibition of human PDE5A catalytic domain using cAMP/cGMP substrate				Bioorg Med Chem Lett 21: 3307-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.021 BindingDB Entry DOI: 10.7270/Q2X067C3
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