Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50166817'   

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))	BDBM50166817 (3-[2-Ethoxy-5-(4-ethyl-piperazine-1-sulfonyl)-phen...) Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cccc(C)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C24H28N6O4S/c1-4-28-11-13-29(14-12-28)35(32,33)17-9-10-19(34-5-2)18(15-17)22-26-23-21(24(31)27-22)25-20-8-6-7-16(3)30(20)23/h6-10,15H,4-5,11-14H2,1-3H3,(H,26,27,31)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of phosphodiesterase 5 isolated from human platelets				Bioorg Med Chem Lett 15: 2790-4 (2005) Article DOI: 10.1016/j.bmcl.2005.03.102 BindingDB Entry DOI: 10.7270/Q2JW8FNG
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