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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 = 'BDBM50370616'   
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))
BDBM50370616
PNG
(CHEMBL1791442)
Show SMILES CCC(C)[C@H](N)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C18H22BrCl2N3O5/c1-3-7(2)13(22)17(27)28-6-12-14(25)15(26)16(29-12)24-11-5-9(21)8(20)4-10(11)23-18(24)19/h4-5,7,12-16,25-26H,3,6,22H2,1-2H3/t7?,12-,13+,14-,15-,16-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.21E+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