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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM20416'   
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))
BDBM20416
PNG
(3-isoquinolin-5-yl-1-{[3-(trifluoromethyl)phenyl]m...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-5-1-3-12(9-14)10-23-17(25)24-16-6-2-4-13-11-22-8-7-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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Article
PubMed
23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane using [3H]-RTX as radioligand.


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20416
PNG
(3-isoquinolin-5-yl-1-{[3-(trifluoromethyl)phenyl]m...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-5-1-3-12(9-14)10-23-17(25)24-16-6-2-4-13-11-22-8-7-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HEK293 cell membrane, as inhibition of agonist-induced intracellular [C...


Bioorg Med Chem Lett 14: 3053-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.038
BindingDB Entry DOI: 10.7270/Q2FB52D6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20416
PNG
(3-isoquinolin-5-yl-1-{[3-(trifluoromethyl)phenyl]m...)
Show SMILES FC(F)(F)c1cccc(CNC(=O)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-5-1-3-12(9-14)10-23-17(25)24-16-6-2-4-13-11-22-8-7-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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Article
PubMed
n/an/an/an/a 51n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 48: 744-52 (2005)


Article DOI: 10.1021/jm0492958
BindingDB Entry DOI: 10.7270/Q2J38QT3
More data for this
Ligand-Target Pair