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Compile Data Set for Download or QSAR

Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50014758   
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))
BDBM50147083
PNG
(1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H23N3O/c1-21(2,3)17-9-7-15(8-10-17)13-23-20(25)24-19-6-4-5-16-14-22-12-11-18(16)19/h4-12,14H,13H2,1-3H3,(H2,23,24,25)
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0.300n/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))
BDBM50147069
PNG
(1-(4-Chloro-3-trifluoromethyl-benzyl)-3-isoquinoli...)
Show SMILES FC(F)(F)c1cc(CNC(=O)Nc2cccc3cnccc23)ccc1Cl
Show InChI InChI=1S/C18H13ClF3N3O/c19-15-5-4-11(8-14(15)18(20,21)22)9-24-17(26)25-16-3-1-2-12-10-23-7-6-13(12)16/h1-8,10H,9H2,(H2,24,25,26)
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0.800n/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))
BDBM50147080
PNG
(3-(4-tert-Butyl-phenyl)-N-isoquinolin-5-yl-acrylam...)
Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H22N2O/c1-22(2,3)18-10-7-16(8-11-18)9-12-21(25)24-20-6-4-5-17-15-23-14-13-19(17)20/h4-15H,1-3H3,(H,24,25)/b12-9+
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1.20n/an/an/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))
BDBM50147063
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethoxy-benzyl)-u...)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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1.30n/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))
BDBM50147067
PNG
(1-[2-(4-tert-Butyl-phenyl)-ethyl]-3-isoquinolin-5-...)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H25N3O/c1-22(2,3)18-9-7-16(8-10-18)11-14-24-21(26)25-20-6-4-5-17-15-23-13-12-19(17)20/h4-10,12-13,15H,11,14H2,1-3H3,(H2,24,25,26)
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1.30n/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))
BDBM50147077
PNG
(1-(3,5-Bis-trifluoromethyl-phenyl)-3-isoquinolin-5...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc3cnccc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C18H11F6N3O/c19-17(20,21)11-6-12(18(22,23)24)8-13(7-11)26-16(28)27-15-3-1-2-10-9-25-5-4-14(10)15/h1-9H,(H2,26,27,28)
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1.40n/an/an/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))
BDBM50147060
PNG
(3-[4-(1,1-Dimethyl-propyl)-phenyl]-N-isoquinolin-5...)
Show SMILES CCC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C23H26N2O/c1-4-23(2,3)19-11-8-17(9-12-19)10-13-22(26)25-21-7-5-6-18-16-24-15-14-20(18)21/h5-9,11-12,14-16H,4,10,13H2,1-3H3,(H,25,26)
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4n/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))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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5n/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))
BDBM50147081
PNG
(1-Isoquinolin-5-yl-3-[2-(4-trifluoromethoxy-phenyl...)
Show SMILES FC(F)(F)Oc1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C19H16F3N3O2/c20-19(21,22)27-15-6-4-13(5-7-15)8-11-24-18(26)25-17-3-1-2-14-12-23-10-9-16(14)17/h1-7,9-10,12H,8,11H2,(H2,24,25,26)
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6n/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))
BDBM50147082
PNG
(1-(3,4-Dichloro-benzyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES Clc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C17H13Cl2N3O/c18-14-5-4-11(8-15(14)19)9-21-17(23)22-16-3-1-2-12-10-20-7-6-13(12)16/h1-8,10H,9H2,(H2,21,22,23)
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9n/an/an/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))
BDBM50147061
PNG
(3-(4-tert-Butyl-phenyl)-N-isoquinolin-5-yl-propion...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H24N2O/c1-22(2,3)18-10-7-16(8-11-18)9-12-21(25)24-20-6-4-5-17-15-23-14-13-19(17)20/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,24,25)
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11n/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))
BDBM50147068
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-...)
Show SMILES Clc1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C18H15Cl2N3O/c19-15-5-4-12(10-16(15)20)6-9-22-18(24)23-17-3-1-2-13-11-21-8-7-14(13)17/h1-5,7-8,10-11H,6,9H2,(H2,22,23,24)
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17n/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))
BDBM50147065
PNG
(1-(3,4-Dichloro-phenyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES Clc1ccc(NC(=O)Nc2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C16H11Cl2N3O/c17-13-5-4-11(8-14(13)18)20-16(22)21-15-3-1-2-10-9-19-7-6-12(10)15/h1-9H,(H2,20,21,22)
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17n/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))
BDBM50147074
PNG
(1-Isoquinolin-5-yl-3-(3-trifluoromethyl-phenyl)-ur...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C17H12F3N3O/c18-17(19,20)12-4-2-5-13(9-12)22-16(24)23-15-6-1-3-11-10-21-8-7-14(11)15/h1-10H,(H2,22,23,24)
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19n/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))
BDBM20417
PNG
(3-isoquinolin-5-yl-1-{2-[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-6-4-13(5-7-15)8-11-24-18(26)25-17-3-1-2-14-12-23-10-9-16(14)17/h1-7,9-10,12H,8,11H2,(H2,24,25,26)
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22n/an/an/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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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))
BDBM50147075
PNG
(1-(4-Chloro-benzyl)-3-isoquinolin-5-yl-urea | CHEM...)
Show SMILES Clc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-6-4-12(5-7-14)10-20-17(22)21-16-3-1-2-13-11-19-9-8-15(13)16/h1-9,11H,10H2,(H2,20,21,22)
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31n/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))
BDBM20418
PNG
(3-isoquinolin-5-yl-1-{2-[3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(CCNC(=O)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-5-1-3-13(11-15)7-10-24-18(26)25-17-6-2-4-14-12-23-9-8-16(14)17/h1-6,8-9,11-12H,7,10H2,(H2,24,25,26)
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41n/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))
BDBM50147078
PNG
(CHEMBL104445 | N-Isoquinolin-5-yl-3-(4-trifluorome...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C19H15F3N2O/c20-19(21,22)15-7-4-13(5-8-15)6-9-18(25)24-17-3-1-2-14-12-23-11-10-16(14)17/h1-5,7-8,10-12H,6,9H2,(H,24,25)
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60n/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))
BDBM50147070
PNG
(CHEMBL102073 | N-Isoquinolin-5-yl-4-pentyl-benzami...)
Show SMILES CCCCCc1ccc(cc1)C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C21H22N2O/c1-2-3-4-6-16-9-11-17(12-10-16)21(24)23-20-8-5-7-18-15-22-14-13-19(18)20/h5,7-15H,2-4,6H2,1H3,(H,23,24)
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71n/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))
BDBM50147073
PNG
(3-(4-Chloro-phenyl)-N-isoquinolin-5-yl-propionamid...)
Show SMILES Clc1ccc(CCC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H15ClN2O/c19-15-7-4-13(5-8-15)6-9-18(22)21-17-3-1-2-14-12-20-11-10-16(14)17/h1-5,7-8,10-12H,6,9H2,(H,21,22)
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98n/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))
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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120n/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
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147062
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-phenyl)-ur...)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C17H12F3N3O/c18-17(19,20)12-4-6-13(7-5-12)22-16(24)23-15-3-1-2-11-10-21-9-8-14(11)15/h1-10H,(H2,22,23,24)
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160n/an/an/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))
BDBM50147066
PNG
(1-Isoquinolin-5-yl-3-(4-methoxy-benzyl)-urea | CHE...)
Show SMILES COc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H17N3O2/c1-23-15-7-5-13(6-8-15)11-20-18(22)21-17-4-2-3-14-12-19-10-9-16(14)17/h2-10,12H,11H2,1H3,(H2,20,21,22)
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193n/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))
BDBM50147064
PNG
(1-(4-Butyl-phenyl)-3-isoquinolin-5-yl-urea | CHEMB...)
Show SMILES CCCCc1ccc(NC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H21N3O/c1-2-3-5-15-8-10-17(11-9-15)22-20(24)23-19-7-4-6-16-14-21-13-12-18(16)19/h4,6-14H,2-3,5H2,1H3,(H2,22,23,24)
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330n/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))
BDBM50147076
PNG
(CHEMBL106391 | N-Isoquinolin-5-yl-3-phenyl-acrylam...)
Show SMILES O=C(Nc1cccc2cnccc12)\C=C\c1ccccc1
Show InChI InChI=1S/C18H14N2O/c21-18(10-9-14-5-2-1-3-6-14)20-17-8-4-7-15-13-19-12-11-16(15)17/h1-13H,(H,20,21)/b10-9+
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400n/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))
BDBM50147071
PNG
(1-Isoquinolin-5-yl-3-[2-(4-methoxy-phenyl)-ethyl]-...)
Show SMILES COc1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C19H19N3O2/c1-24-16-7-5-14(6-8-16)9-12-21-19(23)22-18-4-2-3-15-13-20-11-10-17(15)18/h2-8,10-11,13H,9,12H2,1H3,(H2,21,22,23)
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1.29E+3n/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))
BDBM50147072
PNG
(1-Isoquinolin-5-yl-3-phenethyl-urea | CHEMBL103842)
Show SMILES O=C(NCCc1ccccc1)Nc1cccc2cnccc12
Show InChI InChI=1S/C18H17N3O/c22-18(20-12-9-14-5-2-1-3-6-14)21-17-8-4-7-15-13-19-11-10-16(15)17/h1-8,10-11,13H,9,12H2,(H2,20,21,22)
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1.44E+3n/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))
BDBM50147070
PNG
(CHEMBL102073 | N-Isoquinolin-5-yl-4-pentyl-benzami...)
Show SMILES CCCCCc1ccc(cc1)C(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C21H22N2O/c1-2-3-4-6-16-9-11-17(12-10-16)21(24)23-20-8-5-7-18-15-22-14-13-19(18)20/h5,7-15H,2-4,6H2,1H3,(H,23,24)
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n/an/a 2.40n/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))
BDBM50147067
PNG
(1-[2-(4-tert-Butyl-phenyl)-ethyl]-3-isoquinolin-5-...)
Show SMILES CC(C)(C)c1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H25N3O/c1-22(2,3)18-9-7-16(8-10-18)11-14-24-21(26)25-20-6-4-5-17-15-23-13-12-19(17)20/h4-10,12-13,15H,11,14H2,1-3H3,(H2,24,25,26)
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n/an/a 3n/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))
BDBM50147083
PNG
(1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H23N3O/c1-21(2,3)17-9-7-15(8-10-17)13-23-20(25)24-19-6-4-5-16-14-22-12-11-18(16)19/h4-12,14H,13H2,1-3H3,(H2,23,24,25)
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n/an/a 3n/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))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/a 3n/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))
BDBM50147063
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethoxy-benzyl)-u...)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/a 3n/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))
BDBM50147082
PNG
(1-(3,4-Dichloro-benzyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES Clc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C17H13Cl2N3O/c18-14-5-4-11(8-15(14)19)9-21-17(23)22-16-3-1-2-12-10-20-7-6-13(12)16/h1-8,10H,9H2,(H2,21,22,23)
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n/an/a 4n/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))
BDBM50147080
PNG
(3-(4-tert-Butyl-phenyl)-N-isoquinolin-5-yl-acrylam...)
Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C22H22N2O/c1-22(2,3)18-10-7-16(8-11-18)9-12-21(25)24-20-6-4-5-17-15-23-14-13-19(17)20/h4-15H,1-3H3,(H,24,25)/b12-9+
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n/an/a 5n/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))
BDBM50147075
PNG
(1-(4-Chloro-benzyl)-3-isoquinolin-5-yl-urea | CHEM...)
Show SMILES Clc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C17H14ClN3O/c18-14-6-4-12(5-7-14)10-20-17(22)21-16-3-1-2-13-11-19-9-8-15(13)16/h1-9,11H,10H2,(H2,20,21,22)
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n/an/a 6n/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))
BDBM50147069
PNG
(1-(4-Chloro-3-trifluoromethyl-benzyl)-3-isoquinoli...)
Show SMILES FC(F)(F)c1cc(CNC(=O)Nc2cccc3cnccc23)ccc1Cl
Show InChI InChI=1S/C18H13ClF3N3O/c19-15-5-4-11(8-14(15)18(20,21)22)9-24-17(26)25-16-3-1-2-12-10-23-7-6-13(12)16/h1-8,10H,9H2,(H2,24,25,26)
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n/an/a 6n/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))
BDBM50147068
PNG
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-3-isoquinolin-5-...)
Show SMILES Clc1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C18H15Cl2N3O/c19-15-5-4-12(10-16(15)20)6-9-22-18(24)23-17-3-1-2-13-11-21-8-7-14(13)17/h1-5,7-8,10-11H,6,9H2,(H2,22,23,24)
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n/an/a 10n/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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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))
BDBM50147081
PNG
(1-Isoquinolin-5-yl-3-[2-(4-trifluoromethoxy-phenyl...)
Show SMILES FC(F)(F)Oc1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C19H16F3N3O2/c20-19(21,22)27-15-6-4-13(5-7-15)8-11-24-18(26)25-17-3-1-2-14-12-23-10-9-16(14)17/h1-7,9-10,12H,8,11H2,(H2,24,25,26)
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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))
BDBM50147060
PNG
(3-[4-(1,1-Dimethyl-propyl)-phenyl]-N-isoquinolin-5...)
Show SMILES CCC(C)(C)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C23H26N2O/c1-4-23(2,3)19-11-8-17(9-12-19)10-13-22(26)25-21-7-5-6-18-16-24-15-14-20(18)21/h5-9,11-12,14-16H,4,10,13H2,1-3H3,(H,25,26)
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n/an/a 13n/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))
BDBM20417
PNG
(3-isoquinolin-5-yl-1-{2-[4-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-6-4-13(5-7-15)8-11-24-18(26)25-17-3-1-2-14-12-23-10-9-16(14)17/h1-7,9-10,12H,8,11H2,(H2,24,25,26)
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n/an/a 19n/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))
BDBM20418
PNG
(3-isoquinolin-5-yl-1-{2-[3-(trifluoromethyl)phenyl...)
Show SMILES FC(F)(F)c1cccc(CCNC(=O)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C19H16F3N3O/c20-19(21,22)15-5-1-3-13(11-15)7-10-24-18(26)25-17-6-2-4-14-12-23-9-8-16(14)17/h1-6,8-9,11-12H,7,10H2,(H2,24,25,26)
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n/an/a 19n/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))
BDBM50147077
PNG
(1-(3,5-Bis-trifluoromethyl-phenyl)-3-isoquinolin-5...)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc3cnccc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C18H11F6N3O/c19-17(20,21)11-6-12(18(22,23)24)8-13(7-11)26-16(28)27-15-3-1-2-10-9-25-5-4-14(10)15/h1-9H,(H2,26,27,28)
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n/an/a 32n/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))
BDBM50147074
PNG
(1-Isoquinolin-5-yl-3-(3-trifluoromethyl-phenyl)-ur...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc3cnccc23)c1
Show InChI InChI=1S/C17H12F3N3O/c18-17(19,20)12-4-2-5-13(9-12)22-16(24)23-15-6-1-3-11-10-21-8-7-14(11)15/h1-10H,(H2,22,23,24)
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n/an/a 32n/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))
BDBM50147078
PNG
(CHEMBL104445 | N-Isoquinolin-5-yl-3-(4-trifluorome...)
Show SMILES FC(F)(F)c1ccc(CCC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C19H15F3N2O/c20-19(21,22)15-7-4-13(5-8-15)6-9-18(25)24-17-3-1-2-14-12-23-11-10-16(14)17/h1-5,7-8,10-12H,6,9H2,(H,24,25)
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n/an/a 38n/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))
BDBM50147066
PNG
(1-Isoquinolin-5-yl-3-(4-methoxy-benzyl)-urea | CHE...)
Show SMILES COc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H17N3O2/c1-23-15-7-5-13(6-8-15)11-20-18(22)21-17-4-2-3-14-12-19-10-9-16(14)17/h2-10,12H,11H2,1H3,(H2,20,21,22)
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n/an/a 45n/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))
BDBM50147073
PNG
(3-(4-Chloro-phenyl)-N-isoquinolin-5-yl-propionamid...)
Show SMILES Clc1ccc(CCC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H15ClN2O/c19-15-7-4-13(5-8-15)6-9-18(22)21-17-3-1-2-14-12-20-11-10-16(14)17/h1-5,7-8,10-12H,6,9H2,(H,21,22)
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n/an/a 74n/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))
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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n/an/a 100n/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
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50147065
PNG
(1-(3,4-Dichloro-phenyl)-3-isoquinolin-5-yl-urea | ...)
Show SMILES Clc1ccc(NC(=O)Nc2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C16H11Cl2N3O/c17-13-5-4-11(8-14(13)18)20-16(22)21-15-3-1-2-10-9-19-7-6-12(10)15/h1-9H,(H2,20,21,22)
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n/an/a 170n/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
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