Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '15-hydroxyprostaglandin dehydrogenase [NAD(+)]' and Ligand = 'BDBM118059'   

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
15-hydroxyprostaglandin dehydrogenase [NAD(+)] (Homo sapiens (Human))	BDBM118059 (US8637558, 91) Show SMILES CC1CCC(COc2cccc(C=C3SC(O)=NC3=O)c2Cl)CC1 |w:12.11,c:16,(-7.85,3.21,;-6.52,2.44,;-5.19,3.21,;-3.85,2.44,;-3.85,.9,;-2.52,.13,;-1.18,.9,;.15,.13,;.15,-1.41,;1.48,-2.18,;2.82,-1.41,;2.82,.13,;4.15,.9,;5.48,.13,;5.48,-1.41,;6.95,-1.88,;7.72,-3.21,;7.85,-.64,;6.95,.61,;7.72,1.94,;1.48,.9,;1.48,2.44,;-5.19,.13,;-6.52,.9,)| Show InChI InChI=1S/C18H20ClNO3S/c1-11-5-7-12(8-6-11)10-23-14-4-2-3-13(16(14)19)9-15-17(21)20-18(22)24-15/h2-4,9,11-12H,5-8,10H2,1H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	135	n/a	n/a	n/a	n/a	7.5	n/a
Industry-Academic Cooperation Foundation, Chosun University US Patent					Assay Description Experimental was performed by measuring the formation of NADH at 340 nm with a fluorescence spectrophotometer. Specifically, 2 ml (in total) of the s...				US Patent US8637558 (2014) BindingDB Entry DOI: 10.7270/Q280519F
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