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2 similar compounds to monomer 50258473

Compile data set for download or QSAR
Wt: 448.5
BDBM50258444
Wt: 434.5
BDBM50258475

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50258444,50258475   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258444
PNG
(3-(5-tert-Butyl-2,3-dihydrobenzofuran-7-yl)-N-(3-f...)
Show SMILES CC(C)(C)c1cc2CCOc2c(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1
Show InChI InChI=1S/C23H29FN2O4S/c1-23(2,3)18-12-16(22-17(13-18)9-10-30-22)6-8-21(27)25-14-15-5-7-20(19(24)11-15)26-31(4,28)29/h5,7,11-13,26H,6,8-10,14H2,1-4H3,(H,25,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+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
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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
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