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BDBM50082239 2,2-Dimethyl-propionic acid 2-benzyl-3-[2-(4-hydroxy-3-methoxy-phenyl)-acetylamino]-propyl ester::CHEMBL101866

SMILES: COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccccc2)ccc1O

InChI Key: InChIKey=JQFAZOKQAAIIAK-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50082239   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082239
PNG
(2,2-Dimethyl-propionic acid 2-benzyl-3-[2-(4-hydro...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C24H31NO5/c1-24(2,3)23(28)30-16-19(12-17-8-6-5-7-9-17)15-25-22(27)14-18-10-11-20(26)21(13-18)29-4/h5-11,13,19,26H,12,14-16H2,1-4H3,(H,25,27)
PDB
MMDB

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404n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards vanilloid receptor by [3H]RTX displacement.


Bioorg Med Chem Lett 9: 2909-14 (1999)


BindingDB Entry DOI: 10.7270/Q2HT2PTB
More data for this
Ligand-Target Pair