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BDBM50449807 CHEMBL4168781

SMILES: COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OC[C@H](NC(=S)[C@H](C)N)C(O)=O

InChI Key: InChIKey=KLJWYKGJOCEWQM-WZEYRHAQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50449807   
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


(Oryctolagus cuniculus)		BDBM50449807
PNG
(CHEMBL4168781)
Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OC[C@H](NC(=S)[C@H](C)N)C(O)=O |r|
Show InChI InChI=1S/C23H30N2O8S/c1-11(6-8-17(26)32-10-16(22(28)29)25-21(34)13(3)24)5-7-14-19(27)18-15(9-33-23(18)30)12(2)20(14)31-4/h5,13,16,27H,6-10,24H2,1-4H3,(H,25,34)(H,28,29)/b11-5+/t13-,16-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 2.10E+5n/an/an/an/an/an/an/an/a



Keele University

Curated by ChEMBL


Assay Description
Binding affinity to rabbit PepT1 expressed in Xenopus laevis oocytes assessed as inhibition of [3H]-D-Phe-L-Gln uptake by Michaelis-Menten kinetics a...

Eur J Med Chem 156: 180-189 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.064
BindingDB Entry DOI: 10.7270/Q2HH6NN3
More data for this
Ligand-Target Pair