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BDBM50519221 CHEMBL4460144

SMILES: OC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(O)=O

InChI Key: InChIKey=UVSBYUFDCGZIMR-SRQIZXRXSA-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 = 50519221   
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))
BDBM50519221
PNG
(CHEMBL4460144)
Show SMILES OC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(O)=O |r|
Show InChI InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)/t4-,5+,6+/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
2.50E+6n/an/an/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Substrate activity at PEPT1 in human Caco2 cells assessed as inhibition of Gly-Sar uptake by LC-MS/MS analysis


J Med Chem 62: 7708-7721 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00358
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50519221
PNG
(CHEMBL4460144)
Show SMILES OC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(O)=O |r|
Show InChI InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)/t4-,5+,6+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.76E+6n/an/an/an/an/an/a



Dalian Medical University

Curated by ChEMBL


Assay Description
Substrate activity at PEPT1 in human Caco2 cells assessed as inhibition of Gly-Sar uptake measured after 10 mins by UPLC-MS/MS analysis


J Med Chem 62: 7708-7721 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00358
More data for this
Ligand-Target Pair