BDBM50140282 1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-5-yl)-phenoxymethyl]-benzyl}-4-aza-1-azonia-bicyclo[2.2.2]octane; chloride::CHEMBL17879::CHEMBL363392
SMILES: CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCc2ccc(C[N+]34CCN(CC3)CC4)cc2)cc1)N(C)C
InChI Key: InChIKey=STPKWKPURVSAJF-LJEWAXOPSA-N
Data: 2 IC50
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 sodium/bile acid cotransporter (Homo sapiens (Human)) | BDBM50140282 (1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.280 | 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 | |||||||||||||
Ileal sodium/bile acid cotransporter (Homo sapiens (Human)) | BDBM50140282 (1-{4-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hyd...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
Sankyo Co. Ltd Curated by ChEMBL | Assay Description In vitro Inhibition of apical sodium-dependent bile acid transporter by measuring the uptake of [3H]-taurocholate in hamster ileal ring | Bioorg Med Chem Lett 14: 1183-6 (2004) Article DOI: 10.1016/j.bmcl.2003.12.063 BindingDB Entry DOI: 10.7270/Q2H70F76 | |||||||||||
More data for this Ligand-Target Pair |