Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50117716'   

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))	BDBM50117716 (8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...) Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C26H39N7O5S/c1-7-38-21-9-8-19(39(36,37)32-14-12-31(13-15-32)11-10-29(4)5)16-20(21)23-27-22-24(28-23)33(17-18(2)3)26(35)30(6)25(22)34/h8-9,16,18H,7,10-15,17H2,1-6H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
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