Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ileal sodium/bile acid cotransporter' and Ligand = 'BDBM159822'   

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
Ileal sodium/bile acid cotransporter (Homo sapiens (Human))	BDBM159822 (US9040518, 46) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNCC(O)=O)c(OC)cc2[C@H](N1O)c1ccccc1 |r| Show InChI InChI=1S/C25H34N2O6S/c1-4-6-12-25(5-2)17-34(31,32)22-13-19(15-26-16-23(28)29)21(33-3)14-20(22)24(27(25)30)18-10-8-7-9-11-18/h7-11,13-14,24,26,30H,4-6,12,15-17H2,1-3H3,(H,28,29)/t24-,25-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
GlaxoSmithKline LLC US Patent					Assay Description On the day of the uptake experiment, 10 mM HEPES was added to Hank's Balanced Salt Solution, and the pH was adjusted to 7.4 with TRIS (HBSSH). The as...				US Patent US9040518 (2015) BindingDB Entry DOI: 10.7270/Q2T72G58
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