Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ileal sodium/bile acid cotransporter' and Ligand = 'BDBM50172618'   

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))	BDBM50172618 ((3S,4R,5R)-3-Butyl-3-ethyl-5-(3-methoxy-phenyl)-1,...) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccc(OC)c1)-c1ccccc1 Show InChI InChI=1S/C29H34O4S/c1-4-6-17-29(5-2)20-34(31,32)26-16-15-22(21-11-8-7-9-12-21)19-25(26)27(28(29)30)23-13-10-14-24(18-23)33-3/h7-16,18-19,27-28,30H,4-6,17,20H2,1-3H3/t27-,28-,29-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBAT				J Med Chem 48: 5837-52 (2005) Article DOI: 10.1021/jm040215+ BindingDB Entry DOI: 10.7270/Q26M37MS
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