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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'li' and Initial = 'fn'   
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
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(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 neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258505
PNG
(CHEMBL468512 | N-(3-Cyano-5-fluoro-4-(methylsulfon...)
Show SMILES CC1(C)CCC(C)(C)c2cc(CCC(=O)NCc3cc(F)c(NS(C)(=O)=O)c(c3)C#N)ccc12
Show InChI InChI=1S/C26H32FN3O3S/c1-25(2)10-11-26(3,4)21-13-17(6-8-20(21)25)7-9-23(31)29-16-18-12-19(15-28)24(22(27)14-18)30-34(5,32)33/h6,8,12-14,30H,7,9-11,16H2,1-5H3,(H,29,31)
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n/an/a 57n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(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 neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258840
PNG
(3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O3S/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-28(4,26)27/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,25)
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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 neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258415
PNG
(CHEMBL493769 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CC1(C)CCC(C)(C)c2cc(CCC(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc12
Show InChI InChI=1S/C25H33FN2O3S/c1-24(2)12-13-25(3,4)20-14-17(6-9-19(20)24)8-11-23(29)27-16-18-7-10-22(21(26)15-18)28-32(5,30)31/h6-7,9-10,14-15,28H,8,11-13,16H2,1-5H3,(H,27,29)
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n/an/a 180n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258314
PNG
(3-(3,5-Di-tert-butylphenyl)-N-(3-fluoro-4-(methyls...)
Show SMILES CC(C)(C)c1cc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc(c1)C(C)(C)C
Show InChI InChI=1S/C25H35FN2O3S/c1-24(2,3)19-12-17(13-20(15-19)25(4,5)6)9-11-23(29)27-16-18-8-10-22(21(26)14-18)28-32(7,30)31/h8,10,12-15,28H,9,11,16H2,1-7H3,(H,27,29)
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n/an/a 200n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258504
PNG
(CHEMBL512461 | N-(3-Cyano-5-fluoro-4-(methylsulfon...)
Show SMILES CC1(CC1)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H24FN3O3S/c1-22(9-10-22)18-6-3-15(4-7-18)5-8-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(2,28)29/h3-4,6-7,11-12,26H,5,8-10,14H2,1-2H3,(H,25,27)
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n/an/a 210n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258446
PNG
(3-(6-tert-Butylchroman-8-yl)-N-(3-fluoro-4-(methyl...)
Show SMILES CC(C)(C)c1cc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2OCCCc2c1
Show InChI InChI=1S/C24H31FN2O4S/c1-24(2,3)19-13-17-6-5-11-31-23(17)18(14-19)8-10-22(28)26-15-16-7-9-21(20(25)12-16)27-32(4,29)30/h7,9,12-14,27H,5-6,8,10-11,15H2,1-4H3,(H,26,28)
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n/an/a 280n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258414
PNG
((E)-N-(3-Fluoro-4-(methylsulfonamido)benzyl)-3-(5,...)
Show SMILES CC1(C)CCC(C)(C)c2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc12
Show InChI InChI=1S/C25H31FN2O3S/c1-24(2)12-13-25(3,4)20-14-17(6-9-19(20)24)8-11-23(29)27-16-18-7-10-22(21(26)15-18)28-32(5,30)31/h6-11,14-15,28H,12-13,16H2,1-5H3,(H,27,29)/b11-8+
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n/an/a 340n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258270
PNG
(CHEMBL492800 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccc(CC3CC3)cc2)cc1F
Show InChI InChI=1S/C21H25FN2O3S/c1-28(26,27)24-20-10-8-18(13-19(20)22)14-23-21(25)11-9-15-2-4-16(5-3-15)12-17-6-7-17/h2-5,8,10,13,17,24H,6-7,9,11-12,14H2,1H3,(H,23,25)
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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 neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258269
PNG
((E)-N-(3-Fluoro-4-(methylsulfonamido)benzyl)-3-(4-...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)\C=C\c2ccc(CC3CC3)cc2)cc1F
Show InChI InChI=1S/C21H23FN2O3S/c1-28(26,27)24-20-10-8-18(13-19(20)22)14-23-21(25)11-9-15-2-4-16(5-3-15)12-17-6-7-17/h2-5,8-11,13,17,24H,6-7,12,14H2,1H3,(H,23,25)/b11-9+
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n/an/a 390n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258839
PNG
((E)-3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsu...)
Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H25FN2O3S/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-28(4,26)27/h5-13,24H,14H2,1-4H3,(H,23,25)/b12-8+
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n/an/a 490n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258841
PNG
(3-(4-sec-Butylphenyl)-N-(3-fluoro-4-(methylsulfona...)
Show SMILES CC(C)Cc1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O3S/c1-15(2)12-17-6-4-16(5-7-17)9-11-21(25)23-14-18-8-10-20(19(22)13-18)24-28(3,26)27/h4-8,10,13,15,24H,9,11-12,14H2,1-3H3,(H,23,25)
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n/an/a 640n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50172598
PNG
(CHEMBL197781 | N-(4-[({4-tert-Butylbenzyl}aminocar...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O3S/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(25)23-13-15-7-10-18(17(21)11-15)24-28(4,26)27/h5-11,24H,12-13H2,1-4H3,(H2,22,23,25)
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n/an/a 710n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258445
PNG
((E)-3-(6-tert-Butylchroman-8-yl)-N-(3-fluoro-4-(me...)
Show SMILES CC(C)(C)c1cc2CCCOc2c(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H29FN2O4S/c1-24(2,3)19-13-17-6-5-11-31-23(17)18(14-19)8-10-22(28)26-15-16-7-9-21(20(25)12-16)27-32(4,29)30/h7-10,12-14,27H,5-6,11,15H2,1-4H3,(H,26,28)/b10-8+
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n/an/a 920n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258474
PNG
((E)-3-(2,2-Dimethylchroman-6-yl)-N-(3-fluoro-4-(me...)
Show SMILES CC1(C)CCc2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C22H25FN2O4S/c1-22(2)11-10-17-12-15(5-8-20(17)29-22)6-9-21(26)24-14-16-4-7-19(18(23)13-16)25-30(3,27)28/h4-9,12-13,25H,10-11,14H2,1-3H3,(H,24,26)/b9-6+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258416
PNG
((E)-3-(5-tert-Butyl-2,3-dihydrobenzofuran-7-yl)-N-...)
Show SMILES CC(C)(C)c1cc2CCOc2c(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1
Show InChI InChI=1S/C23H27FN2O4S/c1-23(2,3)18-12-16(22-17(13-18)9-10-30-22)6-8-21(27)25-14-15-5-7-20(19(24)11-15)26-31(4,28)29/h5-8,11-13,26H,9-10,14H2,1-4H3,(H,25,27)/b8-6+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258413
PNG
(3-(3,5-Bis(trifluoromethyl)phenyl)-N-(3-fluoro-4-(...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C19H17F7N2O3S/c1-32(30,31)28-16-4-2-12(8-15(16)20)10-27-17(29)5-3-11-6-13(18(21,22)23)9-14(7-11)19(24,25)26/h2,4,6-9,28H,3,5,10H2,1H3,(H,27,29)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258803
PNG
(CHEMBL466622 | N-(4-tert-Butylbenzyl)-3-[3-fluoro-...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)CCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O3S/c1-21(2,3)17-9-5-16(6-10-17)14-23-20(25)12-8-15-7-11-19(18(22)13-15)24-28(4,26)27/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,25)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258447
PNG
((E)-3-(2,2-Dimethyl-2,3-dihydrobenzofuran-5-yl)-N-...)
Show SMILES CC1(C)Cc2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C21H23FN2O4S/c1-21(2)12-16-10-14(5-8-19(16)28-21)6-9-20(25)23-13-15-4-7-18(17(22)11-15)24-29(3,26)27/h4-11,24H,12-13H2,1-3H3,(H,23,25)/b9-6+
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n/an/a 4.30E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258271
PNG
(CHEMBL492801 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccc(cc2)C(F)(F)F)cc1F
Show InChI InChI=1S/C18H18F4N2O3S/c1-28(26,27)24-16-8-4-13(10-15(16)19)11-23-17(25)9-5-12-2-6-14(7-3-12)18(20,21)22/h2-4,6-8,10,24H,5,9,11H2,1H3,(H,23,25)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258444
PNG
(3-(5-tert-Butyl-2,3-dihydrobenzofuran-7-yl)-N-(3-f...)
Show SMILES CC(C)(C)c1cc2CCOc2c(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1
Show InChI InChI=1S/C23H29FN2O4S/c1-23(2,3)18-12-16(22-17(13-18)9-10-30-22)6-8-21(27)25-14-15-5-7-20(19(24)11-15)26-31(4,28)29/h5,7,11-13,26H,6,8-10,14H2,1-4H3,(H,25,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258475
PNG
(3-(2,2-Dimethylchroman-6-yl)-N-(3-fluoro-4-(methyl...)
Show SMILES CC1(C)CCc2cc(CCC(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C22H27FN2O4S/c1-22(2)11-10-17-12-15(5-8-20(17)29-22)6-9-21(26)24-14-16-4-7-19(18(23)13-16)25-30(3,27)28/h4-5,7-8,12-13,25H,6,9-11,14H2,1-3H3,(H,24,26)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258273
PNG
(3-(4-tert-Butoxyphenyl)-N-(3-fluoro-4-(methylsulfo...)
Show SMILES CC(C)(C)Oc1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O4S/c1-21(2,3)28-17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-29(4,26)27/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
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