Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50399899'   

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))	BDBM50399899 (CHEMBL2180663) Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(NC(C)=O)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H31N5O5S/c1-5-13-32-19-8-7-16(33(30,31)27-11-9-26(4)10-12-27)14-17(19)21-24-18(6-2)20(22(29)25-21)23-15(3)28/h7-8,14H,5-6,9-13H2,1-4H3,(H,23,28)(H,24,25,29)	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	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE5A by [3H]cGMP based tritium scintillation proximity assay				J Med Chem 55: 10540-50 (2012) Article DOI: 10.1021/jm301159y BindingDB Entry DOI: 10.7270/Q2154J6G
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