Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50398649'   

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))	BDBM50398649 (CHEMBL2178115 | US9617269, Compound WYQ-94-D) Show SMILES COc1ccc(NC(=O)C(C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)	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	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-Sen University Curated by ChEMBL					Assay Description Binding affinity to human PDE5A1 catalytic domain (535 to 860 amino acid residues) expressed in Escherichia coli BL21 using [3H]cGMP as substrate aft...				J Med Chem 55: 8549-58 (2012) Article DOI: 10.1021/jm301189c BindingDB Entry DOI: 10.7270/Q2SX6FB6
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