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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vanilloid receptor' and Ligand = 'BDBM50258475'   
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))
BDBM50258475
PNG
(3-(2,2-Dimethylchroman-6-yl)-N-(3-fluoro-4-(methyl...)
Show SMILES CC1(C)CCc2cc(CCC(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C22H27FN2O4S/c1-22(2)11-10-17-12-15(5-8-20(17)29-22)6-9-21(26)24-14-16-4-7-19(18(23)13-16)25-30(3,27)28/h4-5,7-8,12-13,25H,6,9-11,14H2,1-3H3,(H,24,26)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.20E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair