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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vanilloid receptor' and Ligand = 'BDBM50082240'   
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))
BDBM50082240
PNG
(Acetic acid (E)-2-{[2-(4-hydroxy-3-methoxy-phenyl)...)
Show SMILES COc1cc(CC(=O)NC\C(COC(C)=O)=C/Cc2ccccc2)ccc1O
Show InChI InChI=1S/C22H25NO5/c1-16(24)28-15-19(9-8-17-6-4-3-5-7-17)14-23-22(26)13-18-10-11-20(25)21(12-18)27-2/h3-7,9-12,25H,8,13-15H2,1-2H3,(H,23,26)/b19-9+
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
1.29E+4n/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