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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vanilloid receptor' and Ligand = 'BDBM50082248'   
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))
BDBM50082248
PNG
(2,2-Dimethyl-propionic acid (E)-2-{[2-(4-hydroxy-3...)
Show SMILES COc1cc(CC(=O)NC\C(COC(=O)C(C)(C)C)=C/Cc2ccccc2)ccc1O
Show InChI InChI=1S/C25H31NO5/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/h5-9,11-14,27H,10,15-17H2,1-4H3,(H,26,28)/b20-11+
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
1.22E+3n/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