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Compile Data Set for Download or QSAR

Found 713 hits with Last Name = 'suh' and Initial = 'yg'   
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))
BDBM50052442
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsacin


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20330
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)
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3.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196343
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C28H40N2O4S/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-34-25(32)28(4,5)6)17-30-26(35)29-16-20-10-13-23(31)24(15-20)33-7/h8-13,15,21,31H,14,16-18H2,1-7H3,(H2,29,30,35)
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6.35n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20293
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36FN3O4S2/c1-17-7-8-19(11-18(17)2)12-21(16-34-24(31)26(3,4)5)15-29-25(35)28-14-20-9-10-23(22(27)13-20)30-36(6,32)33/h7-11,13,21,30H,12,14-16H2,1-6H3,(H2,28,29,35)
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7.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
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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9.16n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
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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9.20n/an/an/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by PDSP Ki Database




Mol Pharmacol 62: 947-56 (2002)


Article DOI: 10.1124/mol.62.4.947
BindingDB Entry DOI: 10.7270/Q2W094HG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196337
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O
Show InChI InChI=1S/C26H36N2O4S/c1-17-7-8-19(11-18(17)2)12-21(16-32-24(30)26(3,4)5)15-28-25(33)27-14-20-9-10-22(29)23(13-20)31-6/h7-11,13,21,29H,12,14-16H2,1-6H3,(H2,27,28,33)
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17.4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130546
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C29H43N3O5S2/c1-28(2,3)23-12-9-20(10-13-23)15-22(19-37-26(33)29(4,5)6)18-31-27(38)30-17-21-11-14-24(25(16-21)36-7)32-39(8,34)35/h9-14,16,22,32H,15,17-19H2,1-8H3,(H2,30,31,38)
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25.2n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130542
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O4S2/c1-18-7-8-21(13-19(18)2)14-22(17-33-24(30)26(3,4)5)16-28-25(34)27-15-20-9-11-23(12-10-20)29-35(6,31)32/h7-13,22,29H,14-17H2,1-6H3,(H2,27,28,34)
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29.3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130548
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C27H39N3O5S2/c1-18-8-9-20(12-19(18)2)13-22(17-35-25(31)27(3,4)5)16-29-26(36)28-15-21-10-11-23(24(14-21)34-6)30-37(7,32)33/h8-12,14,22,30H,13,15-17H2,1-7H3,(H2,28,29,36)
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49n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20330
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)
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50.4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
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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53.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(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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53.9n/an/an/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by PDSP Ki Database




Mol Pharmacol 62: 947-56 (2002)


Article DOI: 10.1124/mol.62.4.947
BindingDB Entry DOI: 10.7270/Q2W094HG
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20293
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36FN3O4S2/c1-17-7-8-19(11-18(17)2)12-21(16-34-24(31)26(3,4)5)15-29-25(35)28-14-20-9-10-23(22(27)13-20)30-36(6,32)33/h7-11,13,21,30H,12,14-16H2,1-6H3,(H2,28,29,35)
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54n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(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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54n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(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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63n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130540
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H41N3O4S2/c1-27(2,3)23-12-8-20(9-13-23)16-22(19-35-25(32)28(4,5)6)18-30-26(36)29-17-21-10-14-24(15-11-21)31-37(7,33)34/h8-15,22,31H,16-19H2,1-7H3,(H2,29,30,36)
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64n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130542
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O4S2/c1-18-7-8-21(13-19(18)2)14-22(17-33-24(30)26(3,4)5)16-28-25(34)27-15-20-9-11-23(12-10-20)29-35(6,31)32/h7-13,22,29H,14-17H2,1-6H3,(H2,27,28,34)
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67n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130544
PNG
(Benzoic acid 2-(4-tert-butyl-benzyl)-3-[3-(4-metha...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)c2ccccc2)Cc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C31H39N3O5S2/c1-31(2,3)26-14-11-22(12-15-26)17-24(21-39-29(35)25-9-7-6-8-10-25)20-33-30(40)32-19-23-13-16-27(28(18-23)38-4)34-41(5,36)37/h6-16,18,24,34H,17,19-21H2,1-5H3,(H2,32,33,40)
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77.2n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130540
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H41N3O4S2/c1-27(2,3)23-12-8-20(9-13-23)16-22(19-35-25(32)28(4,5)6)18-30-26(36)29-17-21-10-14-24(15-11-21)31-37(7,33)34/h8-15,22,31H,16-19H2,1-7H3,(H2,29,30,36)
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86n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130553
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C27H39N3O4S2/c1-7-36(32,33)30-24-12-10-21(11-13-24)16-28-26(35)29-17-23(18-34-25(31)27(4,5)6)15-22-9-8-19(2)20(3)14-22/h8-14,23,30H,7,15-18H2,1-6H3,(H2,28,29,35)
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108n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169732
PNG
((4-tert-Butyl-benzyl)-thiocarbamic acid 4-methanes...)
Show SMILES COc1cc(COC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H28N2O4S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)27-14-16-8-11-18(19(12-16)26-4)23-29(5,24)25/h6-12,23H,13-14H2,1-5H3,(H,22,28)
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110n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169728
PNG
(CHEMBL364193 | N-(4-tert-Butyl-benzyl)-2-(3-fluoro...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Cc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H25FN2O3S/c1-20(2,3)16-8-5-14(6-9-16)13-22-19(24)12-15-7-10-18(17(21)11-15)23-27(4,25)26/h5-11,23H,12-13H2,1-4H3,(H,22,24)
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118n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169733
PNG
((4-tert-Butyl-benzyl)-thiocarbamic acid 3-fluoro-4...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)OCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H25FN2O3S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)26-13-15-7-10-18(17(21)11-15)23-28(4,24)25/h5-11,23H,12-13H2,1-4H3,(H,22,27)
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120n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130552
PNG
(Benzoic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-metha...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)c2ccccc2)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C29H35N3O5S2/c1-20-10-11-22(14-21(20)2)15-24(19-37-28(33)25-8-6-5-7-9-25)18-31-29(38)30-17-23-12-13-26(27(16-23)36-3)32-39(4,34)35/h5-14,16,24,32H,15,17-19H2,1-4H3,(H2,30,31,38)
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148n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169735
PNG
((4-tert-Butyl-benzyl)-thiocarbamic acid 4-methanes...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)OCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H26N2O3S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)25-14-16-7-11-18(12-8-16)22-27(4,23)24/h5-12,22H,13-14H2,1-4H3,(H,21,26)
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222n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169740
PNG
(CHEMBL188602 | N-{4-[3-(4-tert-Butyl-benzyl)-ureid...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O3S/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(24)22-14-16-7-11-18(12-8-16)23-27(4,25)26/h5-12,23H,13-14H2,1-4H3,(H2,21,22,24)
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225n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130539
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C28H41N3O4S2/c1-19(2)37(33,34)31-25-12-10-22(11-13-25)16-29-27(36)30-17-24(18-35-26(32)28(5,6)7)15-23-9-8-20(3)21(4)14-23/h8-14,19,24,31H,15-18H2,1-7H3,(H2,29,30,36)
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227n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130545
PNG
(Benzoic acid 2-(4-tert-butyl-benzyl)-3-[3-(4-metha...)
Show SMILES CC(C)(C)c1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)26-14-10-22(11-15-26)18-24(21-37-28(34)25-8-6-5-7-9-25)20-32-29(38)31-19-23-12-16-27(17-13-23)33-39(4,35)36/h5-17,24,33H,18-21H2,1-4H3,(H2,31,32,38)
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239n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130553
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C27H39N3O4S2/c1-7-36(32,33)30-24-12-10-21(11-13-24)16-28-26(35)29-17-23(18-34-25(31)27(4,5)6)15-22-9-8-19(2)20(3)14-22/h8-14,23,30H,7,15-18H2,1-6H3,(H2,28,29,35)
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309n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130543
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C28H41N3O4S2/c1-7-14-37(33,34)31-25-12-10-22(11-13-25)17-29-27(36)30-18-24(19-35-26(32)28(4,5)6)16-23-9-8-20(2)21(3)15-23/h8-13,15,24,31H,7,14,16-19H2,1-6H3,(H2,29,30,36)
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313n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130555
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2cccc(NS(C)(=O)=O)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O4S2/c1-18-10-11-20(12-19(18)2)13-22(17-33-24(30)26(3,4)5)16-28-25(34)27-15-21-8-7-9-23(14-21)29-35(6,31)32/h7-12,14,22,29H,13,15-17H2,1-6H3,(H2,27,28,34)
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355n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169726
PNG
(CHEMBL185683 | N-(4-tert-Butyl-benzyl)-2-(4-methan...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Cc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H26N2O3S/c1-20(2,3)17-9-5-16(6-10-17)14-21-19(23)13-15-7-11-18(12-8-15)22-26(4,24)25/h5-12,22H,13-14H2,1-4H3,(H,21,23)
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398n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130556
PNG
(Benzoic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-metha...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1C
Show InChI InChI=1S/C28H33N3O4S2/c1-20-9-10-23(15-21(20)2)16-24(19-35-27(32)25-7-5-4-6-8-25)18-30-28(36)29-17-22-11-13-26(14-12-22)31-37(3,33)34/h4-15,24,31H,16-19H2,1-3H3,(H2,29,30,36)
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410n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169733
PNG
((4-tert-Butyl-benzyl)-thiocarbamic acid 3-fluoro-4...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)OCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H25FN2O3S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)26-13-15-7-10-18(17(21)11-15)23-28(4,24)25/h5-11,23H,12-13H2,1-4H3,(H,22,27)
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450n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169732
PNG
((4-tert-Butyl-benzyl)-thiocarbamic acid 4-methanes...)
Show SMILES COc1cc(COC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H28N2O4S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)27-14-16-8-11-18(19(12-16)26-4)23-29(5,24)25/h6-12,23H,13-14H2,1-5H3,(H,22,28)
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461n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169734
PNG
(CHEMBL186109 | N-{(4-tert-butylbenzyl)-N'-hydroxyt...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)N(O)Cc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O3S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(27)23(24)14-16-7-11-18(12-8-16)22-28(4,25)26/h5-12,22,24H,13-14H2,1-4H3,(H,21,27)
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470n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169722
PNG
(CHEMBL363105 | N-{(4-tert-butylbenzyl)-N-hydroxyth...)
Show SMILES CC(C)(C)c1ccc(CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O3S2/c1-20(2,3)17-9-5-16(6-10-17)14-23(24)19(27)21-13-15-7-11-18(12-8-15)22-28(4,25)26/h5-12,22,24H,13-14H2,1-4H3,(H,21,27)
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470n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169728
PNG
(CHEMBL364193 | N-(4-tert-Butyl-benzyl)-2-(3-fluoro...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)Cc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H25FN2O3S/c1-20(2,3)16-8-5-14(6-9-16)13-22-19(24)12-15-7-10-18(17(21)11-15)23-27(4,25)26/h5-11,23H,12-13H2,1-4H3,(H,22,24)
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472n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
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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520n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vanilloid receptor


(Rattus norvegicus (rat))
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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520n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169717
PNG
(CHEMBL427163 | N-{(4-tert-butylbenzyl)-N-hydroxyth...)
Show SMILES CC(C)(C)c1ccc(CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C20H26ClN3O3S2/c1-20(2,3)16-8-5-14(6-9-16)13-24(25)19(28)22-12-15-7-10-18(17(21)11-15)23-29(4,26)27/h5-11,23,25H,12-13H2,1-4H3,(H,22,28)
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579n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169738
PNG
(CHEMBL188472 | N-{(4-tert-butylbenzyl)-N-hydroxyth...)
Show SMILES CC(C)(C)c1ccc(CN(O)C(=[SH+])[N-]Cc2ccc(NS(C)(=O)=O)c(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H26N4O5S2/c1-20(2,3)16-8-5-14(6-9-16)13-23(25)19(30)21-12-15-7-10-17(22-31(4,28)29)18(11-15)24(26)27/h5-11,22,25H,12-13H2,1-4H3,(H,21,30)
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635n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169735
PNG
((4-tert-Butyl-benzyl)-thiocarbamic acid 4-methanes...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)OCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H26N2O3S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)25-14-16-7-11-18(12-8-16)22-27(4,23)24/h5-12,22H,13-14H2,1-4H3,(H,21,26)
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772n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169727
PNG
(CHEMBL187675 | N-{(4-tert-butylbenzyl)-N-hydroxyth...)
Show SMILES CC(C)(C)c1ccc(CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O3S2/c1-20(2,3)16-8-5-14(6-9-16)13-24(25)19(28)22-12-15-7-10-18(17(21)11-15)23-29(4,26)27/h5-11,23,25H,12-13H2,1-4H3,(H,22,28)
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800n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169724
PNG
(CHEMBL190293 | N-{(4-tert-butylbenzyl)-N-hydroxyth...)
Show SMILES COc1cc(CNC(=S)N(O)Cc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O4S2/c1-21(2,3)17-9-6-15(7-10-17)14-24(25)20(29)22-13-16-8-11-18(19(12-16)28-4)23-30(5,26)27/h6-12,23,25H,13-14H2,1-5H3,(H,22,29)
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926n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130543
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C28H41N3O4S2/c1-7-14-37(33,34)31-25-12-10-22(11-13-25)17-29-27(36)30-18-24(19-35-26(32)28(4,5)6)16-23-9-8-20(2)21(3)15-23/h8-13,15,24,31H,7,14,16-19H2,1-6H3,(H2,29,30,36)
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940n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50169722
PNG
(CHEMBL363105 | N-{(4-tert-butylbenzyl)-N-hydroxyth...)
Show SMILES CC(C)(C)c1ccc(CN(O)C(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O3S2/c1-20(2,3)17-9-5-16(6-10-17)14-23(24)19(27)21-13-15-7-11-18(12-8-15)22-28(4,25)26/h5-12,22,24H,13-14H2,1-4H3,(H,21,27)
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1.09E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
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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1.30E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-RTX binding to rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vanilloid receptor


(Rattus norvegicus (rat))
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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1.30E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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