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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 = 'BDBM20488'   
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))
BDBM20488
PNG
((2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-...)
Show SMILES COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
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n/an/a 270n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 channel expressed in CHO cells assessed as inhibition of capsiacin-induced Ca2+ flux by Fluo-3 dye bas...


Bioorg Med Chem Lett 26: 1401-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.071
BindingDB Entry DOI: 10.7270/Q24F1SM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20488
PNG
((2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-...)
Show SMILES COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
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n/an/a 270n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 channel expressed in CHO cells assessed as inhibition of capsiacin-induced Ca2+ flux by Fluo-3 dye bas...


Bioorg Med Chem Lett 26: 1401-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.071
BindingDB Entry DOI: 10.7270/Q24F1SM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM20488
PNG
((2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-...)
Show SMILES COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
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n/an/a 3.70E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1039/d2md00158f
BindingDB Entry DOI: 10.7270/Q23J3HXH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20488
PNG
((2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-...)
Show SMILES COc1cccc(NC(=O)\C=C\c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
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n/an/an/an/a 20n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)