BDBM50172608 (4R,5R)-3,3-Dibutyl-7-dimethylamino-9-methoxy-5-(4-methoxy-phenyl)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-4-ol::CHEMBL372275

SMILES: CCCCC1(CCCC)CS(=O)(=O)c2c(OC)cc(cc2[C@H]([C@H]1O)c1ccc(OC)cc1)N(C)C

InChI Key: InChIKey=LGSSMRBMELLTLX-XNMGPUDCSA-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 = 50172608   

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))	BDBM50172608 ((4R,5R)-3,3-Dibutyl-7-dimethylamino-9-methoxy-5-(4...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2c(OC)cc(cc2[C@H]([C@H]1O)c1ccc(OC)cc1)N(C)C Show InChI InChI=1S/C28H41NO5S/c1-7-9-15-28(16-10-8-2)19-35(31,32)26-23(17-21(29(3)4)18-24(26)34-6)25(27(28)30)20-11-13-22(33-5)14-12-20/h11-14,17-18,25,27,30H,7-10,15-16,19H2,1-6H3/t25-,27-/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
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
					More data for this Ligand-Target Pair