BDBM50434869 CHEMBL2387527

SMILES: CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1

InChI Key: InChIKey=KVAHZESNRLLCNI-DNQXCXABSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50434869   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ileal bile acid transporter/bile acid cotransporter (Homo sapiens (Human))	BDBM50434869 (CHEMBL2387527) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(OCCS(O)(=O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C24H33NO7S2/c1-4-6-12-24(5-2)17-33(26,27)22-16-21(32-13-14-34(28,29)30)20(31-3)15-19(22)23(25-24)18-10-8-7-9-11-18/h7-11,15-16,23,25H,4-6,12-14,17H2,1-3H3,(H,28,29,30)/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research& Development Curated by ChEMBL					Assay Description Inhibition of human ASBT expressed in HEK293 cells assessed as inhibition of [3H]-taurocholate uptake after 90 mins by scintillation counting analysi...				J Med Chem 56: 5094-114 (2013) Article DOI: 10.1021/jm400459m BindingDB Entry DOI: 10.7270/Q2MC91D6
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