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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vanilloid receptor' and Ligand = 'BDBM50082253'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50082253
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid 2-acetoxy...)
Show SMILES COc1cc(CC(=O)OCC(COC(C)=O)Cc2ccccc2)ccc1O
Show InChI InChI=1S/C21H24O6/c1-15(22)26-13-18(10-16-6-4-3-5-7-16)14-27-21(24)12-17-8-9-19(23)20(11-17)25-2/h3-9,11,18,23H,10,12-14H2,1-2H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+5n/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