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PubMed code 19897373

Compile data set for download or QSAR
Found 27 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))		BDBM50304771
PNG
(3-(4-tert-Butylphenyl)-N-[3-fluoro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(C=C)c2)cc1
Show InChI InChI=1S/C23H29FN2O3S/c1-6-18-13-17(14-20(24)22(18)26-30(5,28)29)15-25-21(27)12-9-16-7-10-19(11-8-16)23(2,3)4/h6-8,10-11,13-14,26H,1,9,12,15H2,2-5H3,(H,25,27)
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n/an/a 25n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304776
PNG
(3-(4-tert-Butylphenyl)-N-[3-cyano-5-fluoro-4-(meth...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H26FN3O2S2/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(29)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,27)28/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,29)
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n/an/a 28n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304770
PNG
(3-(4-tert-Butylphenyl)-N-[3-fluoro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(C=C)c2)cc1
Show InChI InChI=1S/C23H29FN2O2S2/c1-6-18-13-17(14-20(24)22(18)26-30(5,27)28)15-25-21(29)12-9-16-7-10-19(11-8-16)23(2,3)4/h6-8,10-11,13-14,26H,1,9,12,15H2,2-5H3,(H,25,29)
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n/an/a 32n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
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/a 37n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304752
PNG
(3-(4-tert-Butylphenyl)-N-[3-fluoro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)
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n/an/a 40n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304761
PNG
(3-(4-tert-Butylphenyl)-N-[3-cyano-4-(methylsulfona...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H27N3O2S2/c1-22(2,3)19-9-5-16(6-10-19)8-12-21(28)24-15-17-7-11-20(18(13-17)14-23)25-29(4,26)27/h5-7,9-11,13,25H,8,12,15H2,1-4H3,(H,24,28)
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n/an/a 55n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304758
PNG
(3-(4-tert-Butylphenyl)-N-[3-methyl-4-(methylsulfon...)
Show SMILES Cc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C22H30N2O2S2/c1-16-14-18(8-12-20(16)24-28(5,25)26)15-23-21(27)13-9-17-6-10-19(11-7-17)22(2,3)4/h6-8,10-12,14,24H,9,13,15H2,1-5H3,(H,23,27)
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n/an/a 60n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304760
PNG
(3-(4-tert-Butylphenyl)-N-[4-(methylsulfonamido)-3-...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(C=C)c2)cc1
Show InChI InChI=1S/C23H30N2O2S2/c1-6-19-15-18(9-13-21(19)25-29(5,26)27)16-24-22(28)14-10-17-7-11-20(12-8-17)23(2,3)4/h6-9,11-13,15,25H,1,10,14,16H2,2-5H3,(H,24,28)
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n/an/a 61n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304762
PNG
(3-(4-tert-Butylphenyl)-N-[4-(methylsulfonamido)-3-...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H27N3O4S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(29)22-14-16-7-11-18(23-30(4,27)28)19(13-16)24(25)26/h5-7,9-11,13,23H,8,12,14H2,1-4H3,(H,22,29)
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n/an/a 72n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304772
PNG
(3-(4-tert-Butylphenyl)-N-[3-acetylene-5-fluoro-4-(...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#C)cc1
Show InChI InChI=1S/C23H27FN2O2S2/c1-6-18-13-17(14-20(24)22(18)26-30(5,27)28)15-25-21(29)12-9-16-7-10-19(11-8-16)23(2,3)4/h1,7-8,10-11,13-14,26H,9,12,15H2,2-5H3,(H,25,29)
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n/an/a 75n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304768
PNG
(3-(4-tert-Butylphenyl)-N-[3-chloro-5-methyl-4-(met...)
Show SMILES Cc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)cc(Cl)c1NS(C)(=O)=O
Show InChI InChI=1S/C22H29ClN2O2S2/c1-15-12-17(13-19(23)21(15)25-29(5,26)27)14-24-20(28)11-8-16-6-9-18(10-7-16)22(2,3)4/h6-7,9-10,12-13,25H,8,11,14H2,1-5H3,(H,24,28)
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n/an/a 80n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50258476
PNG
(3-(4-tert-Butylphenyl)-N-(3-cyano-5-fluoro-4-(meth...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H26FN3O3S/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,28)29/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,27)
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n/an/a 85n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304753
PNG
(3-(4-tert-Butylphenyl)-N-[3-chloro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C21H27ClN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)
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n/an/a 96n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304769
PNG
(3-(4-tert-Butylphenyl)-N-[3-chloro-5-methyl-4-(met...)
Show SMILES Cc1cc(CNC(=O)CCc2ccc(cc2)C(C)(C)C)cc(Cl)c1NS(C)(=O)=O
Show InChI InChI=1S/C22H29ClN2O3S/c1-15-12-17(13-19(23)21(15)25-29(5,27)28)14-24-20(26)11-8-16-6-9-18(10-7-16)22(2,3)4/h6-7,9-10,12-13,25H,8,11,14H2,1-5H3,(H,24,26)
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n/an/a 100n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304773
PNG
(3-(4-tert-Butylphenyl)-N-[3-acetylene-5-fluoro-4-(...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#C)cc1
Show InChI InChI=1S/C23H27FN2O3S/c1-6-18-13-17(14-20(24)22(18)26-30(5,28)29)15-25-21(27)12-9-16-7-10-19(11-8-16)23(2,3)4/h1,7-8,10-11,13-14,26H,9,12,15H2,2-5H3,(H,25,27)
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n/an/a 170n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304759
PNG
(3-(4-tert-Butylphenyl)-N-[3-ethyl-4-(methylsulfona...)
Show SMILES CCc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C23H32N2O2S2/c1-6-19-15-18(9-13-21(19)25-29(5,26)27)16-24-22(28)14-10-17-7-11-20(12-8-17)23(2,3)4/h7-9,11-13,15,25H,6,10,14,16H2,1-5H3,(H,24,28)
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n/an/a 240n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304774
PNG
(3-(4-tert-Butylphenyl)-N-[3-cyclopropyl-5-fluoro-4...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C2CC2)cc1
Show InChI InChI=1S/C24H31FN2O2S2/c1-24(2,3)19-10-5-16(6-11-19)7-12-22(30)26-15-17-13-20(18-8-9-18)23(21(25)14-17)27-31(4,28)29/h5-6,10-11,13-14,18,27H,7-9,12,15H2,1-4H3,(H,26,30)
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n/an/a 270n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304755
PNG
(3-(4-tert-Butylphenyl)-N-[3-iodo-4-(methylsulfonam...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(I)c2)cc1
Show InChI InChI=1S/C21H27IN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(27)23-14-16-7-11-19(18(22)13-16)24-28(4,25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,27)
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n/an/a 300n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304775
PNG
(3-(4-tert-Butylphenyl)-N-[3-cyclopropyl-5-fluoro-4...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C2CC2)cc1
Show InChI InChI=1S/C24H31FN2O3S/c1-24(2,3)19-10-5-16(6-11-19)7-12-22(28)26-15-17-13-20(18-8-9-18)23(21(25)14-17)27-31(4,29)30/h5-6,10-11,13-14,18,27H,7-9,12,15H2,1-4H3,(H,26,28)
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n/an/a 360n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304767
PNG
(3-(4-tert-Butylphenyl)-N-[3,5-dimethyl-4-(methylsu...)
Show SMILES Cc1cc(CNC(=O)CCc2ccc(cc2)C(C)(C)C)cc(C)c1NS(C)(=O)=O
Show InChI InChI=1S/C23H32N2O3S/c1-16-13-19(14-17(2)22(16)25-29(6,27)28)15-24-21(26)12-9-18-7-10-20(11-8-18)23(3,4)5/h7-8,10-11,13-14,25H,9,12,15H2,1-6H3,(H,24,26)
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n/an/a 620n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304757
PNG
(3-(4-tert-Butylphenyl)-N-[4-(methylsulfon amido)-3...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H27F3N2O2S2/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(30)26-14-16-7-11-19(27-31(4,28)29)18(13-16)22(23,24)25/h5-7,9-11,13,27H,8,12,14H2,1-4H3,(H,26,30)
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n/an/a 940n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304765
PNG
(CHEMBL610203 | N-[3-Acetyl-4-(methylsulfonamido)be...)
Show SMILES CC(=O)c1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C23H30N2O3S2/c1-16(26)20-14-18(8-12-21(20)25-30(5,27)28)15-24-22(29)13-9-17-6-10-19(11-7-17)23(2,3)4/h6-8,10-12,14,25H,9,13,15H2,1-5H3,(H,24,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304756
PNG
(3-(4-tert-Butylphenyl)-N-[4-(methylsulfonamido)-2-...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)cc2C(F)(F)F)cc1
Show InChI InChI=1S/C22H27F3N2O2S2/c1-21(2,3)17-9-5-15(6-10-17)7-12-20(30)26-14-16-8-11-18(27-31(4,28)29)13-19(16)22(23,24)25/h5-6,8-11,13,27H,7,12,14H2,1-4H3,(H,26,30)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304766
PNG
(3-(4-tert-Butylphenyl)-N-[3,5-dimethyl-4-(methylsu...)
Show SMILES Cc1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)cc(C)c1NS(C)(=O)=O
Show InChI InChI=1S/C23H32N2O2S2/c1-16-13-19(14-17(2)22(16)25-29(6,26)27)15-24-21(28)12-9-18-7-10-20(11-8-18)23(3,4)5/h7-8,10-11,13-14,25H,9,12,15H2,1-6H3,(H,24,28)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304754
PNG
(3-(4-tert-Butylphenyl)-N-[2-chloro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)cc2Cl)cc1
Show InChI InChI=1S/C21H27ClN2O2S2/c1-21(2,3)17-9-5-15(6-10-17)7-12-20(27)23-14-16-8-11-18(13-19(16)22)24-28(4,25)26/h5-6,8-11,13,24H,7,12,14H2,1-4H3,(H,23,27)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304764
PNG
(CHEMBL594268 | Methyl 5-{[3-(4-tert-butylphenyl)pr...)
Show SMILES COC(=O)c1cc(CNC(=S)CCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C23H30N2O4S2/c1-23(2,3)18-10-6-16(7-11-18)9-13-21(30)24-15-17-8-12-20(25-31(5,27)28)19(14-17)22(26)29-4/h6-8,10-12,14,25H,9,13,15H2,1-5H3,(H,24,30)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))		BDBM50304763
PNG
(5-{[3-(4-tert-Butylphenyl)propanethioamido]methyl}...)
Show SMILES CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(c2)C(O)=O)cc1
Show InChI InChI=1S/C22H28N2O4S2/c1-22(2,3)17-9-5-15(6-10-17)8-12-20(29)23-14-16-7-11-19(24-30(4,27)28)18(13-16)21(25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,29)(H,25,26)
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n/an/a 2.26E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neurons assessed as inhibition of capsaicin-induced [45]Ca2+ uptake

Bioorg Med Chem 17: 8149-60 (2009)


Article DOI: 10.1016/j.bmc.2009.10.043
BindingDB Entry DOI: 10.7270/Q2NV9JBN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%