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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Transient receptor potential cation channel subfamily V member 1' and Ligand = 'BDBM50323839'   
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))
BDBM50323839
PNG
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)
Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33)
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Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50323839
PNG
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)
Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33)
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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50323839
PNG
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)
Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33)
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Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activation


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50323839
PNG
(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)
Show SMILES NC(=O)c1cnc(-c2cnc3c(Nc4ccc(cn4)C(F)(F)F)ccnc3n2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H11F6N7O/c21-19(22,23)10-1-2-14(29-7-10)32-12-3-4-28-18-16(12)31-8-13(33-18)15-11(20(24,25)26)5-9(6-30-15)17(27)34/h1-8H,(H2,27,34)(H,28,29,32,33)
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...


Bioorg Med Chem Lett 20: 4359-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.069
BindingDB Entry DOI: 10.7270/Q2959HRM
More data for this
Ligand-Target Pair