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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oligopeptide transporter small intestine isoform' and Ligand = 'BDBM50418932'   
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
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50418932
PNG
(CHEMBL1807354)
Show SMILES [NH3+][C@@H](Cc1ccccc1)C(=O)C[C@@H](COC(=O)c1ccccc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C28H34N2O6/c29-23(16-19-10-4-1-5-11-19)24(31)17-22(18-36-28(35)21-14-8-3-9-15-21)26(32)30-25(27(33)34)20-12-6-2-7-13-20/h1,3-5,8-11,14-15,20,22-23,25H,2,6-7,12-13,16-18,29H2,(H,30,32)(H,33,34)/p+1/t22-,23-,25-/m0/s1
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PC cid
PC sid
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Article
PubMed
4.68E+7n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair