BDBM50172687 (4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-pyridin-3-yl-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-4-ol::CHEMBL382076

SMILES: CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccnc1)N(C)C

InChI Key: InChIKey=HLVLUZFPSKJSEK-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 = 50172687   

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))	BDBM50172687 ((4R,5R)-3,3-Dibutyl-7-dimethylamino-1,1-dioxo-5-py...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1cccnc1)N(C)C Show InChI InChI=1S/C25H36N2O3S/c1-5-7-13-25(14-8-6-2)18-31(29,30)22-12-11-20(27(3)4)16-21(22)23(24(25)28)19-10-9-15-26-17-19/h9-12,15-17,23-24,28H,5-8,13-14,18H2,1-4H3/t23-,24-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. 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: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
					More data for this Ligand-Target Pair