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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 = 'BDBM50370606'   
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))
BDBM50370606
PNG
(CHEMBL607680)
Show SMILES COc1ccc(C[C@H](N)C(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2c(Br)nc3cc(Cl)c(Cl)cc23)cc1 |r|
Show InChI InChI=1S/C22H22BrCl2N3O6/c1-32-11-4-2-10(3-5-11)6-14(26)21(31)33-9-17-18(29)19(30)20(34-17)28-16-8-13(25)12(24)7-15(16)27-22(28)23/h2-5,7-8,14,17-20,29-30H,6,9,26H2,1H3/t14-,17+,18+,19+,20?/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
More data for this
Ligand-Target Pair