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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ileal sodium/bile acid cotransporter' and Ligand = 'BDBM50322505'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))
BDBM50322505
PNG
((2S)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-...)
Show SMILES COc1ccc(NC(=O)CC[C@H](NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C36H54N2O7/c1-21(5-13-32(42)38-29(34(43)44)12-14-31(41)37-23-6-8-25(45-4)9-7-23)26-10-11-27-33-28(16-18-36(26,27)3)35(2)17-15-24(39)19-22(35)20-30(33)40/h6-9,21-22,24,26-30,33,39-40H,5,10-20H2,1-4H3,(H,37,41)(H,38,42)(H,43,44)/t21-,22-,24-,26-,27+,28+,29+,30-,33+,35+,36-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.09E+3n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting


J Med Chem 53: 4749-60 (2010)


Article DOI: 10.1021/jm1003683
BindingDB Entry DOI: 10.7270/Q2H70G0G
More data for this
Ligand-Target Pair