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7 similar compounds to monomer 20334

Compile data set for download or QSAR
Wt: 345.3
BDBM20415
Wt: 345.3
BDBM20416
Wt: 359.3
BDBM20383
Wt: 421.4
BDBM20387
Wt: 373.3
BDBM20402
Wt: 333.4
BDBM50147083
Wt: 359.3
BDBM50337976

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 20415,20416,20383,20387,20402,50147083,50337976   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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/s0960-894x(04)00533-5
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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14n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 803-6 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.086
BindingDB Entry DOI: 10.7270/Q2JD4ZG3
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/s0960-894x(04)00533-5
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))
BDBM20415
PNG
(3-isoquinolin-5-yl-1-{[2-(trifluoromethyl)phenyl]m...)
Show SMILES FC(F)(F)c1ccccc1CNC(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)15-6-2-1-4-13(15)11-23-17(25)24-16-7-3-5-12-10-22-9-8-14(12)16/h1-10H,11H2,(H2,23,24,25)
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n/an/an/an/a 87n/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
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/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
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/s0960-894x(04)00533-5
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))
BDBM20387
PNG
(3-isoquinolin-5-yl-1-{phenyl[4-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1ccc(cc1)C(NC(=O)Nc1cccc2cnccc12)c1ccccc1
Show InChI InChI=1S/C24H18F3N3O/c25-24(26,27)19-11-9-17(10-12-19)22(16-5-2-1-3-6-16)30-23(31)29-21-8-4-7-18-15-28-14-13-20(18)21/h1-15,22H,(H2,29,30,31)
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n/an/an/an/a 147n/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...


Bioorg Med Chem Lett 17: 3894-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.105
BindingDB Entry DOI: 10.7270/Q2NV9GH2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20402
PNG
(1-isoquinolin-5-yl-3-{2-[4-(trifluoromethyl)phenyl...)
Show SMILES CC(C)(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O/c1-19(2,14-6-8-15(9-7-14)20(21,22)23)26-18(27)25-17-5-3-4-13-12-24-11-10-16(13)17/h3-12H,1-2H3,(H2,25,26,27)
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n/an/an/an/a 94n/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...


Bioorg Med Chem Lett 17: 3894-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.105
BindingDB Entry DOI: 10.7270/Q2NV9GH2
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50337976
PNG
(1-(isoquinolin-5-yl)-3-(1-(4-(trifluoromethyl)phen...)
Show SMILES CC(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O/c1-12(13-5-7-15(8-6-13)19(20,21)22)24-18(26)25-17-4-2-3-14-11-23-10-9-16(14)17/h2-12H,1H3,(H2,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 assessed as inhibition of calcium influx


Bioorg Med Chem Lett 21: 1338-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.056
BindingDB Entry DOI: 10.7270/Q20K28W6
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20383
PNG
(1-isoquinolin-5-yl-3-{1-[4-(trifluoromethyl)phenyl...)
Show SMILES CC(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O/c1-12(13-5-7-15(8-6-13)19(20,21)22)24-18(26)25-17-4-2-3-14-11-23-10-9-16(14)17/h2-12H,1H3,(H2,24,25,26)
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n/an/an/an/a 22n/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...


Bioorg Med Chem Lett 17: 3894-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.105
BindingDB Entry DOI: 10.7270/Q2NV9GH2
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/s0960-894x(04)00533-5
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))
BDBM20383
PNG
(1-isoquinolin-5-yl-3-{1-[4-(trifluoromethyl)phenyl...)
Show SMILES CC(NC(=O)Nc1cccc2cnccc12)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H16F3N3O/c1-12(13-5-7-15(8-6-13)19(20,21)22)24-18(26)25-17-4-2-3-14-11-23-10-9-16(14)17/h2-12H,1H3,(H2,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux


J Med Chem 51: 392-5 (2008)


Article DOI: 10.1021/jm701007g
BindingDB Entry DOI: 10.7270/Q218367F
More data for this
Ligand-Target Pair