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BDBM50418935 CHEMBL1807353

SMILES: CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O

InChI Key: InChIKey=CBDPRHUCAZUBAO-ACRUOGEOSA-O

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418935   
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))
BDBM50418935
PNG
(CHEMBL1807353)
Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)CC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H30N2O6/c1-2-9-21(24(30)31)27-23(29)19(16-33-25(32)18-12-7-4-8-13-18)15-22(28)20(26)14-17-10-5-3-6-11-17/h3-8,10-13,19-21H,2,9,14-16,26H2,1H3,(H,27,29)(H,30,31)/p+1/t19-,20-,21-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
2.51E+8n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PEPT1 in human Caco2 cells assessed as inhibition of [14C]Gly-Sar apical uptake after 5 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 4597-601 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.108
BindingDB Entry DOI: 10.7270/Q2VM4DHS
More data for this
Ligand-Target Pair