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

InChI Key: InChIKey=PGBATIBFWYVIFK-UFYCRDLUSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50418933   
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
Solute carrier family 15 member 1


(Homo sapiens (Human))		BDBM50418933
PNG
(CHEMBL1807356)
Show SMILES CCC[C@H](NC(=O)[C@H](COC(=O)c1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C24H29N3O6/c1-2-9-19(23(30)31)26-22(29)20(15-33-24(32)17-12-7-4-8-13-17)27-21(28)18(25)14-16-10-5-3-6-11-16/h3-8,10-13,18-20H,2,9,14-15,25H2,1H3,(H,26,29)(H,27,28)(H,30,31)/p+1/t18-,19-,20-/m0/s1
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Similars
Article
PubMed
 1.23E+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