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BDBM50082250 2,2-Dimethyl-propionic acid 2-{[2-(4-hydroxy-3-methoxy-phenyl)-acetylamino]-methyl}-4-phenyl-butyl ester::CHEMBL101775

SMILES: COc1cc(CC(=O)NCC(CCc2ccccc2)COC(=O)C(C)(C)C)ccc1O

InChI Key: InChIKey=IEUFVHSHRGODGI-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50082250   
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))		BDBM50082250
PNG
(2,2-Dimethyl-propionic acid 2-{[2-(4-hydroxy-3-met...)
Show SMILES COc1cc(CC(=O)NCC(CCc2ccccc2)COC(=O)C(C)(C)C)ccc1O
Show InChI InChI=1S/C25H33NO5/c1-25(2,3)24(29)31-17-20(11-10-18-8-6-5-7-9-18)16-26-23(28)15-19-12-13-21(27)22(14-19)30-4/h5-9,12-14,20,27H,10-11,15-17H2,1-4H3,(H,26,28)
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PubMed
 295n/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