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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 = 'BDBM50188509'   
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))
BDBM50188509
PNG
(Ac-Phe-di-iodo-Tyr | CHEMBL378713)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(I)I
Show InChI InChI=1S/C20H21I2N3O4/c1-13(26)23-17(11-14-5-3-2-4-6-14)19(28)24-18(20(29)25(21)22)12-15-7-9-16(27)10-8-15/h2-10,17-18,27H,11-12H2,1H3,(H,23,26)(H,24,28)/t17-,18-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells


J Med Chem 49: 3636-44 (2006)


Article DOI: 10.1021/jm0511029
BindingDB Entry DOI: 10.7270/Q2P55P9R
More data for this
Ligand-Target Pair