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BDBM50370613 CHEMBL607948

SMILES: N[C@@H](Cc1ccc(Cl)cc1)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12

InChI Key: InChIKey=HLQZOKIFNKWJEV-PFGKVRNLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50370613   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50370613
PNG
(CHEMBL607948)
Show SMILES N[C@@H](Cc1ccc(Cl)cc1)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1c(Br)nc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C21H19BrCl3N3O5/c22-21-27-14-6-11(24)12(25)7-15(14)28(21)19-18(30)17(29)16(33-19)8-32-20(31)13(26)5-9-1-3-10(23)4-2-9/h1-4,6-7,13,16-19,29-30H,5,8,26H2/t13-,16+,17+,18+,19?/m0/s1
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.42E+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