Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B' and Ligand = 'BDBM50117712'   

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-inhibited 3',5'-cyclic phosphodiesterase 3A/3B (Homo sapiens (Human))	BDBM50117712 (8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...) Show SMILES CCOc1ccc(cc1-c1nc2n(Cc3ccc(OC)cc3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H32N6O6S/c1-5-39-22-11-10-20(40(36,37)32-14-12-30(2)13-15-32)16-21(22)24-28-23-25(29-24)33(27(35)31(3)26(23)34)17-18-6-8-19(38-4)9-7-18/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibition of human platelet Phosphodiesterase 3				Bioorg Med Chem Lett 12: 2587-90 (2002) BindingDB Entry DOI: 10.7270/Q2KW5FC2
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