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SMILES: Cc1nc(Nc2ccc(c(Cl)c2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1

InChI Key: InChIKey=YBYZWKCBDRTNOF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50254421   
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))
BDBM50254421
PNG
(CHEMBL465990 | N7-(3-chloro-4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(Nc2ccc(c(Cl)c2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C19H11Cl3F3N5S/c1-8-26-16(28-9-5-6-10(13(22)7-9)19(23,24)25)15-17(27-8)31-18(30-15)29-14-11(20)3-2-4-12(14)21/h2-7H,1H3,(H,29,30)(H,26,27,28)
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MMDB

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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 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))
BDBM50254421
PNG
(CHEMBL465990 | N7-(3-chloro-4-(trifluoromethyl)phe...)
Show SMILES Cc1nc(Nc2ccc(c(Cl)c2)C(F)(F)F)c2nc(Nc3c(Cl)cccc3Cl)sc2n1
Show InChI InChI=1S/C19H11Cl3F3N5S/c1-8-26-16(28-9-5-6-10(13(22)7-9)19(23,24)25)15-17(27-8)31-18(30-15)29-14-11(20)3-2-4-12(14)21/h2-7H,1H3,(H,29,30)(H,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/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