BDBM50434836 CHEMBL2387413

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

InChI Key: InChIKey=ZZBVYRDSJARZIV-KAYWLYCHSA-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 = 50434836   

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))	BDBM50434836 (CHEMBL2387413) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN(C)CCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C27H38N2O5S/c1-5-7-14-27(6-2)19-35(32,33)24-16-21(18-29(3)15-13-25(30)31)23(34-4)17-22(24)26(28-27)20-11-9-8-10-12-20/h8-12,16-17,26,28H,5-7,13-15,18-19H2,1-4H3,(H,30,31)/t26-,27-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	367	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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