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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vanilloid receptor' and Ligand = 'BDBM50082246'   
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))
BDBM50082246
PNG
(Acetic acid 2-benzyloxymethyl-3-[2-(4-hydroxy-3-me...)
Show SMILES COc1cc(CC(=O)NCC(COCc2ccccc2)COC(C)=O)ccc1O
Show InChI InChI=1S/C22H27NO6/c1-16(24)29-15-19(14-28-13-17-6-4-3-5-7-17)12-23-22(26)11-18-8-9-20(25)21(10-18)27-2/h3-10,19,25H,11-15H2,1-2H3,(H,23,26)
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
7.80E+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