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BDBM50188484 CHEMBL54278::Gly-Gly-Gly::[2-(2-Amino-acetylamino)-acetylamino]-acetic acid::glycylglycylglycine

SMILES: NCC(=O)NCC(=O)NCC(O)=O

InChI Key: InChIKey=XKUKSGPZAADMRA-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

PDB links: 3 PDB IDs match this monomer.

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 = 50188484   
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)
BDBM50188484
PNG
(CHEMBL54278 | Gly-Gly-Gly | [2-(2-Amino-acetylamin...)
Show SMILES NCC(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.07E+6n/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)

More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens)
BDBM50188484
PNG
(CHEMBL54278 | Gly-Gly-Gly | [2-(2-Amino-acetylamin...)
Show SMILES NCC(=O)NCC(=O)NCC(O)=O
Show InChI InChI=1S/C6H11N3O4/c7-1-4(10)8-2-5(11)9-3-6(12)13/h1-3,7H2,(H,8,10)(H,9,11)(H,12,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/an/an/a 5.80E+5n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activation of human PEPT1 expressed in MDCK cells


J Med Chem 49: 3636-44 (2006)

More data for this
Ligand-Target Pair