Reaction Details Report a problem with these data
Target
Ileal sodium/bile acid cotransporter
Ligand
BDBM50172690
Substrate
n/a
Meas. Tech.
ChEMBL_321562 (CHEMBL882493)
IC50
2.3±n/a nM
Citation
Huang, HC; Tremont, SJ; Lee, LF; Keller, BT; Carpenter, AJ; Wang, CC; Banerjee, SC; Both, SR; Fletcher, T; Garland, DJ; Huang, W; Jones, C; Koeller, KJ; Kolodziej, SA; Li, J; Manning, RE; Mahoney, MW; Miller, RE; Mischke, DA; Rath, NP; Reinhard, EJ; Tollefson, MB; Vernier, WF; Wagner, GM; Rapp, SR; Beaudry, J; Glenn, K; Regina, K; Schuh, JR; Smith, ME; Trivedi, JS; Reitz, DB Discovery of potent, nonsystemic apical sodium-codependent bile acid transporter inhibitors (Part 2). J Med Chem 48:5853-68 (2005) [PubMed] Article
More Info.:
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:
Human
Description:
SLC10A2
Residue:
348
Sequence:
MNDPNSCVDNATVCSGASCVVPESNFNNILSVVLSTVLTILLALVMFSMGCNVEIKKFLGHIKRPWGICVGFLCQFGIMPLTGFILSVAFDILPLQAVVVLIIGCCPGGTASNILAYWVDGDMDLSVSMTTCSTLLALGMMPLCLLIYTKMWVDSGSIVIPYDNIGTSLVSLVVPVSIGMFVNHKWPQKAKIILKIGSIAGAILIVLIAVVGGILYQSAWIIAPKLWIIGTIFPVAGYSLGFLLARIAGLPWYRCRTVAFETGMQNTQLCSTIVQLSFTPEELNVVFTFPLIYSIFQLAFAAIFLGFYVAYKKCHGKNKAEIPESKENGTEPESSFYKANGGFQPDEK
Inhibitor
Name:
BDBM50172690
Synonyms:
(Carboxymethyl-{5-[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)-phenoxy]-pentyl}-amino)-acetic acid | CHEMBL196032
Type:
Small organic molecule
Emp. Form.:
C35H52N2O8S
Mol. Mass.:
660.861
SMILES:
CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCCCCN(CC(O)=O)CC(O)=O)cc1)N(C)C