Reaction Details Report a problem with these data
Target
Ileal sodium/bile acid cotransporter
Ligand
BDBM50140282
Substrate
n/a
Meas. Tech.
ChEBML_28895
IC50
890±n/a nM
Citation
 Kurata, H; Suzuki, S; Ohhata, Y; Ikeda, T; Hasegawa, T; Kitayama, K; Inaba, T; Kono, K; Kohama, T A novel class of apical sodium-dependent bile acid transporter inhibitors: the amphiphilic 4-oxo-1-phenyl-1,4-dihydroquinoline derivatives. Bioorg Med Chem Lett 14:1183-6 (2004) [PubMed]  Article 
Target
Name:
Ileal sodium/bile acid cotransporter
Synonyms:
ASBT | Apical sodium-dependent bile acid transporter | IBAT | ISBT | Ileal Na(+)/bile acid cotransporter | Ileal bile acid transporter | Ileal bile acid transporter/bile acid cotransporter | Ileal sodium-dependent bile acid transporter | NTCP2 | NTCP2_HUMAN | SLC10A2
Type:
Enzyme
Mol. Mass.:
37714.89
Organism:
Homo sapiens (Human)
Description:
SLC10A2
Residue:
348
Sequence:
MNDPNSCVDNATVCSGASCVVPESNFNNILSVVLSTVLTILLALVMFSMGCNVEIKKFLGHIKRPWGICVGFLCQFGIMPLTGFILSVAFDILPLQAVVVLIIGCCPGGTASNILAYWVDGDMDLSVSMTTCSTLLALGMMPLCLLIYTKMWVDSGSIVIPYDNIGTSLVSLVVPVSIGMFVNHKWPQKAKIILKIGSIAGAILIVLIAVVGGILYQSAWIIAPKLWIIGTIFPVAGYSLGFLLARIAGLPWYRCRTVAFETGMQNTQLCSTIVQLSFTPEELNVVFTFPLIYSIFQLAFAAIFLGFYVAYKKCHGKNKAEIPESKENGTEPESSFYKANGGFQPDEK
  
Inhibitor
Name:
BDBM50140282
Synonyms:
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
Type:
Small organic molecule
Emp. Form.:
C40H56N3O4S
Mol. Mass.:
674.955
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
Structure:
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