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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50184737'   
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50184737
PNG
(CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
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PubMed
n/an/a 3n/an/an/an/a5.5n/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Inhibition of acidic pH 5.5-stimulated current in CHO cells expressing human TRPV1 receptor by patch clamp


Bioorg Med Chem Lett 16: 2872-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.004
BindingDB Entry DOI: 10.7270/Q2959H50
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50184737
PNG
(CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-induced intracellular calcium ion increase in CHO cells expressing human TRPV1 in FLIPR assay


Bioorg Med Chem Lett 16: 2872-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.004
BindingDB Entry DOI: 10.7270/Q2959H50
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50184737
PNG
(CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activation


Bioorg Med Chem Lett 18: 4573-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.036
BindingDB Entry DOI: 10.7270/Q28P6099
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50184737
PNG
(CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inhibition of human TRPV1


J Med Chem 53: 3330-48 (2010)


Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50184737
PNG
(CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
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n/an/a 14n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against capsaicin-activated human VR1 by FLIPR assay


Bioorg Med Chem Lett 16: 5217-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50184737
PNG
(CHEMBL378563 | N-(4-(trifluoromethyl)phenyl)-4-(3-...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccc(cc2)-c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C20H12F6N2O/c21-19(22,23)14-7-9-15(10-8-14)28-18(29)13-5-3-12(4-6-13)17-16(20(24,25)26)2-1-11-27-17/h1-11H,(H,28,29)
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PubMed
n/an/a 26n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity against low pH(5.0-5.5)-activated rat VR1


Bioorg Med Chem Lett 16: 5217-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.010
BindingDB Entry DOI: 10.7270/Q2XP74KT
More data for this
Ligand-Target Pair