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SMILES: CC(C)CNc1nc(Nc2ccc(cc2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1

InChI Key: InChIKey=KXBDRWINDHCJDI-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50254077   
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
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50254077
PNG
(CHEMBL517566 | N2-(2,6-dichlorophenyl)-N5-isobutyl...)
Show SMILES CC(C)CNc1nc(Nc2ccc(cc2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C22H19Cl2F3N6S/c1-11(2)10-28-20-32-18(29-13-8-6-12(7-9-13)22(25,26)27)17-19(33-20)34-21(31-17)30-16-14(23)4-3-5-15(16)24/h3-9,11H,10H2,1-2H3,(H,30,31)(H2,28,29,32,33)
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50254077
PNG
(CHEMBL517566 | N2-(2,6-dichlorophenyl)-N5-isobutyl...)
Show SMILES CC(C)CNc1nc(Nc2ccc(cc2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C22H19Cl2F3N6S/c1-11(2)10-28-20-32-18(29-13-8-6-12(7-9-13)22(25,26)27)17-19(33-20)34-21(31-17)30-16-14(23)4-3-5-15(16)24/h3-9,11H,10H2,1-2H3,(H,30,31)(H2,28,29,32,33)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced calcium flux


Bioorg Med Chem Lett 19: 40-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.024
BindingDB Entry DOI: 10.7270/Q28052G3
More data for this
Ligand-Target Pair