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BDBM50449804 CHEMBL4161926

SMILES: COc1ccc2cc(CC\C(C)=N\OCCOCCOCCOC(=O)C[C@H](NC(=S)[C@H](C)N)C(O)=O)ccc2c1

InChI Key: InChIKey=TXYOKTYSCJDOIS-JHVWSTJDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50449804   
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)		BDBM50449804
PNG
(CHEMBL4161926)
Show SMILES COc1ccc2cc(CC\C(C)=N\OCCOCCOCCOC(=O)C[C@H](NC(=S)[C@H](C)N)C(O)=O)ccc2c1 |r|
Show InChI InChI=1S/C28H39N3O8S/c1-19(4-5-21-6-7-23-17-24(35-3)9-8-22(23)16-21)31-39-15-13-37-11-10-36-12-14-38-26(32)18-25(28(33)34)30-27(40)20(2)29/h6-9,16-17,20,25H,4-5,10-15,18,29H2,1-3H3,(H,30,40)(H,33,34)/b31-19+/t20-,25-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
 4.60E+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