BDBM50434838 CHEMBL2387508

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

InChI Key: InChIKey=VIVRTOOXGVMLDB-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 = 50434838   

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))	BDBM50434838 (CHEMBL2387508) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC(=O)NCC(O)=O)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C27H36N2O6S/c1-4-6-14-27(5-2)18-36(33,34)23-15-20(12-13-24(30)28-17-25(31)32)22(35-3)16-21(23)26(29-27)19-10-8-7-9-11-19/h7-11,15-16,26,29H,4-6,12-14,17-18H2,1-3H3,(H,28,30)(H,31,32)/t26-,27-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	276	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
					More data for this Ligand-Target Pair