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BDBM50344367 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydroxynaphthalen-1-yl)urea::CHEMBL1779687

SMILES: Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1

InChI Key: InChIKey=NXGUFBJYGOURBZ-UHFFFAOYSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50344367   
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


(Homo sapiens (Human))
BDBM50344367
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50344367
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)
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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHOluc9aeq cells assessed as inhibition of capsaicin-stimulated response by aequorin and CRE-lucifear...


Bioorg Med Chem Lett 22: 3408-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.108
BindingDB Entry DOI: 10.7270/Q2C24XF7
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50344367
PNG
(1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...)
Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Bayer Yakuhin, Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...


Bioorg Med Chem Lett 21: 3354-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.013
BindingDB Entry DOI: 10.7270/Q2NG4QXN
More data for this
Ligand-Target Pair