Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50399903'   

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))	BDBM50399903 (CHEMBL2180659) Show SMILES CCCOc1ccc(cc1-c1nc(cc(=O)[nH]1)C(C)C)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C21H30N4O4S/c1-5-12-29-19-7-6-16(30(27,28)25-10-8-24(4)9-11-25)13-17(19)21-22-18(15(2)3)14-20(26)23-21/h6-7,13-15H,5,8-12H2,1-4H3,(H,22,23,26)	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	32	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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