BDBM50434848 CHEMBL2387520

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

InChI Key: InChIKey=LQROOPRQSMOGNQ-CLJLJLNGSA-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 = 50434848   

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))	BDBM50434848 (CHEMBL2387520) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C26H35NO5S/c1-4-6-15-26(5-2)18-33(30,31)23-16-20(13-10-14-24(28)29)22(32-3)17-21(23)25(27-26)19-11-8-7-9-12-19/h7-9,11-12,16-17,25,27H,4-6,10,13-15,18H2,1-3H3,(H,28,29)/t25-,26-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	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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