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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Solute carrier family 15 member 1' and Ligand = 'BDBM50519220'   
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
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50519220
PNG
(CHEMBL2229108)
Show SMILES OC[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C1=O |r|
Show InChI InChI=1S/C8H12N2O4/c11-3-5-8(14)10-2-4(12)1-6(10)7(13)9-5/h4-6,11-12H,1-3H2,(H,9,13)/t4-,5+,6+/m1/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
3.60E+7n/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
BindingDB Entry DOI: 10.7270/Q2CZ3BJ4
More data for this
Ligand-Target Pair
Solute carrier family 15 member 1


(Homo sapiens (Human))
BDBM50519220
PNG
(CHEMBL2229108)
Show SMILES OC[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C1=O |r|
Show InChI InChI=1S/C8H12N2O4/c11-3-5-8(14)10-2-4(12)1-6(10)7(13)9-5/h4-6,11-12H,1-3H2,(H,9,13)/t4-,5+,6+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.82E+7n/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
BindingDB Entry DOI: 10.7270/Q2CZ3BJ4
More data for this
Ligand-Target Pair