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PubMed code 19931463

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (rat))		BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 40n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50142759
PNG
((R)-N-(4-(1-(3-(4-tert-butylbenzyl)thioureido)ethy...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)/t15-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM20315
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
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n/an/a 110n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308680
PNG
(CHEMBL606239 | N-{4-[3-(4-Trimethylsilanylbenzyl)t...)
Show SMILES C[Si](C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C19H27N3O2S2Si/c1-26(23,24)22-17-9-5-15(6-10-17)13-20-19(25)21-14-16-7-11-18(12-8-16)27(2,3)4/h5-12,22H,13-14H2,1-4H3,(H2,20,21,25)
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n/an/a 150n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308679
PNG
(CHEMBL604370 | N-{2-Fluoro-4-[3-(4-trimethylsilany...)
Show SMILES C[Si](C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C19H26FN3O2S2Si/c1-27(24,25)23-18-10-7-15(11-17(18)20)13-22-19(26)21-12-14-5-8-16(9-6-14)28(2,3)4/h5-11,23H,12-13H2,1-4H3,(H2,21,22,26)
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n/an/a 160n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308676
PNG
((R)-N-(4-{1-[3-(4-Trimethylsilanylbenzyl)thioureid...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)[Si](C)(C)C)c1ccc(NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C20H29N3O2S2Si/c1-15(17-8-10-18(11-9-17)23-27(2,24)25)22-20(26)21-14-16-6-12-19(13-7-16)28(3,4)5/h6-13,15,23H,14H2,1-5H3,(H2,21,22,26)/t15-/m1/s1
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n/an/a 210n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308677
PNG
((R)-N-[4-(1-{3-[4-(Ethyldimethylsilanyl)benzyl]thi...)
Show SMILES CC[Si](C)(C)c1ccc(CNC(=S)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 |r|
Show InChI InChI=1S/C21H31N3O2S2Si/c1-6-29(4,5)20-13-7-17(8-14-20)15-22-21(27)23-16(2)18-9-11-19(12-10-18)24-28(3,25)26/h7-14,16,24H,6,15H2,1-5H3,(H2,22,23,27)/t16-/m1/s1
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n/an/a 670n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308674
PNG
(CHEMBL591956 | N-{4-[3-(4-Ethyldimethylsilanylbenz...)
Show SMILES CC[Si](C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H29N3O2S2Si/c1-5-28(3,4)19-12-8-17(9-13-19)15-22-20(26)21-14-16-6-10-18(11-7-16)23-27(2,24)25/h6-13,23H,5,14-15H2,1-4H3,(H2,21,22,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308678
PNG
((R)-N-(4-{1-[3-(4-Triethylsilanylbenzyl)thioureido...)
Show SMILES CC[Si](CC)(CC)c1ccc(CNC(=S)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 |r|
Show InChI InChI=1S/C23H35N3O2S2Si/c1-6-31(7-2,8-3)22-15-9-19(10-16-22)17-24-23(29)25-18(4)20-11-13-21(14-12-20)26-30(5,27)28/h9-16,18,26H,6-8,17H2,1-5H3,(H2,24,25,29)/t18-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308675
PNG
(CHEMBL590998 | N-{4-[3-(4-Triethylsilanylbenzyl)th...)
Show SMILES CC[Si](CC)(CC)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C22H33N3O2S2Si/c1-5-30(6-2,7-3)21-14-10-19(11-15-21)17-24-22(28)23-16-18-8-12-20(13-9-18)25-29(4,26)27/h8-15,25H,5-7,16-17H2,1-4H3,(H2,23,24,28)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated intracellular 45Ca2+ influx by scintillat...

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM20315
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308674
PNG
(CHEMBL591956 | N-{4-[3-(4-Ethyldimethylsilanylbenz...)
Show SMILES CC[Si](C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H29N3O2S2Si/c1-5-28(3,4)19-12-8-17(9-13-19)15-22-20(26)21-14-16-6-10-18(11-7-16)23-27(2,24)25/h6-13,23H,5,14-15H2,1-4H3,(H2,21,22,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308680
PNG
(CHEMBL606239 | N-{4-[3-(4-Trimethylsilanylbenzyl)t...)
Show SMILES C[Si](C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C19H27N3O2S2Si/c1-26(23,24)22-17-9-5-15(6-10-17)13-20-19(25)21-14-16-7-11-18(12-8-16)27(2,3)4/h5-12,22H,13-14H2,1-4H3,(H2,20,21,25)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308679
PNG
(CHEMBL604370 | N-{2-Fluoro-4-[3-(4-trimethylsilany...)
Show SMILES C[Si](C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C19H26FN3O2S2Si/c1-27(24,25)23-18-10-7-15(11-17(18)20)13-22-19(26)21-12-14-5-8-16(9-6-14)28(2,3)4/h5-11,23H,12-13H2,1-4H3,(H2,21,22,26)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308677
PNG
((R)-N-[4-(1-{3-[4-(Ethyldimethylsilanyl)benzyl]thi...)
Show SMILES CC[Si](C)(C)c1ccc(CNC(=S)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 |r|
Show InChI InChI=1S/C21H31N3O2S2Si/c1-6-29(4,5)20-13-7-17(8-14-20)15-22-21(27)23-16(2)18-9-11-19(12-10-18)24-28(3,25)26/h7-14,16,24H,6,15H2,1-5H3,(H2,22,23,27)/t16-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50142759
PNG
((R)-N-(4-(1-(3-(4-tert-butylbenzyl)thioureido)ethy...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)/t15-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308676
PNG
((R)-N-(4-{1-[3-(4-Trimethylsilanylbenzyl)thioureid...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)[Si](C)(C)C)c1ccc(NS(C)(=O)=O)cc1 |r|
Show InChI InChI=1S/C20H29N3O2S2Si/c1-15(17-8-10-18(11-9-17)23-27(2,24)25)22-20(26)21-14-16-6-12-19(13-7-16)28(3,4)5/h6-13,15,23H,14H2,1-5H3,(H2,21,22,26)/t15-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308678
PNG
((R)-N-(4-{1-[3-(4-Triethylsilanylbenzyl)thioureido...)
Show SMILES CC[Si](CC)(CC)c1ccc(CNC(=S)N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)cc1 |r|
Show InChI InChI=1S/C23H35N3O2S2Si/c1-6-31(7-2,8-3)22-15-9-19(10-16-22)17-24-23(29)25-18(4)20-11-13-21(14-12-20)26-30(5,27)28/h9-16,18,26H,6-8,17H2,1-5H3,(H2,24,25,29)/t18-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50308675
PNG
(CHEMBL590998 | N-{4-[3-(4-Triethylsilanylbenzyl)th...)
Show SMILES CC[Si](CC)(CC)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C22H33N3O2S2Si/c1-5-30(6-2,7-3)21-14-10-19(11-15-21)17-24-22(28)23-16-18-8-12-20(13-9-18)25-29(4,26)27/h8-15,25H,5-7,16-17H2,1-4H3,(H2,23,24,28)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Agonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as intracellular 45Ca2+ influx by scintillation counting

Bioorg Med Chem 18: 111-6 (2010)


Article DOI: 10.1016/j.bmc.2009.11.014
BindingDB Entry DOI: 10.7270/Q2TQ61NH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%