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BDBM50152066 5-Amino-4-oxo-6-phenyl-hexanoic acid benzyl ester::CHEMBL187172

SMILES: N[C@@H](Cc1ccccc1)C(=O)CCC(=O)OCc1ccccc1

InChI Key: InChIKey=GANQPJNYJMIHST-KRWDZBQOSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50152066   
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))
BDBM50152066
PNG
(5-Amino-4-oxo-6-phenyl-hexanoic acid benzyl ester ...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H21NO3/c20-17(13-15-7-3-1-4-8-15)18(21)11-12-19(22)23-14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.05E+5n/an/an/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Affinity for hPEPT1 in mature Caco-2 cell monolayers using [14C]-Gly-Sar


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50152066
PNG
(5-Amino-4-oxo-6-phenyl-hexanoic acid benzyl ester ...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)CCC(=O)OCc1ccccc1
Show InChI InChI=1S/C19H21NO3/c20-17(13-15-7-3-1-4-8-15)18(21)11-12-19(22)23-14-16-9-5-2-6-10-16/h1-10,17H,11-14,20H2/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.15E+5n/an/an/an/an/an/a



University of Tromsø

Curated by ChEMBL


Assay Description
Inhibition of [14C]-Gly-Sar transport by hPEPT1 in Caco-2 cell monolayers


J Med Chem 47: 4755-65 (2004)


Article DOI: 10.1021/jm040780c
BindingDB Entry DOI: 10.7270/Q2WM1CWG
More data for this
Ligand-Target Pair