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Compile Data Set for Download or QSAR

Found 123 hits of ph data with Target = 'Vanilloid receptor'   
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))
BDBM20286
PNG
(5-I-RTX | 5-iodoresiniferatoxin | [(1R,2R,6R,10S,1...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(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)cc(I)c1O
Show InChI InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36?,37-/m1/s1
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PubMed
0.610 -54.7n/an/a 12.2n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20314
PNG
((2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-c...)
Show SMILES C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C29H41ClN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21+/m0/s1
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1.83 -51.9n/an/a 5.20n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20311
PNG
((2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-c...)
Show SMILES C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C29H41ClN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21-/m0/s1
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3.29 -50.4n/an/a 12.1n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20291
PNG
(2-[(4-tert-butylphenyl)methyl]-3-[2-(3-chloro-4-me...)
Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C29H41ClN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)
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3.60 -50.1n/an/a 12.3n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20313
PNG
((2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-f...)
Show SMILES C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21+/m0/s1
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4.12 -49.8n/an/a 0.580n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20310
PNG
((2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-f...)
Show SMILES C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21-/m0/s1
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6.26 -48.7n/an/a 10.9n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20297
PNG
(3-[2-(3-chloro-4-methanesulfonamidophenyl)propanam...)
Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C27H37ClN2O5S/c1-17-8-9-20(12-18(17)2)13-21(16-35-26(32)27(4,5)6)15-29-25(31)19(3)22-10-11-24(23(28)14-22)30-36(7,33)34/h8-12,14,19,21,30H,13,15-16H2,1-7H3,(H,29,31)
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11.3 -47.2n/an/a 36n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20290
PNG
(2-[(4-tert-butylphenyl)methyl]-3-[2-(3-fluoro-4-me...)
Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)
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PubMed
13.6 -46.7n/an/a 3.24n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20306
PNG
((2S)-2-benzyl-3-[(2S)-2-(3-fluoro-4-methanesulfona...)
Show SMILES C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H33FN2O5S/c1-17(20-11-12-22(21(26)14-20)28-34(5,31)32)23(29)27-15-19(13-18-9-7-6-8-10-18)16-33-24(30)25(2,3)4/h6-12,14,17,19,28H,13,15-16H2,1-5H3,(H,27,29)/t17-,19-/m0/s1
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16.5 -46.2n/an/a 10n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20287
PNG
(2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)
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22.6 -45.4n/an/a 52n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20292
PNG
(2-[(4-tert-butylphenyl)methyl]-3-[2-(4-methanesulf...)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H44N2O6S/c1-20(23-12-15-25(26(17-23)37-8)32-39(9,35)36)27(33)31-18-22(19-38-28(34)30(5,6)7)16-21-10-13-24(14-11-21)29(2,3)4/h10-15,17,20,22,32H,16,18-19H2,1-9H3,(H,31,33)
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24 -45.2n/an/an/an/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20296
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-[2-(3-fluoro-4-me...)
Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C27H37FN2O5S/c1-17-8-9-20(12-18(17)2)13-21(16-35-26(32)27(4,5)6)15-29-25(31)19(3)22-10-11-24(23(28)14-22)30-36(7,33)34/h8-12,14,19,21,30H,13,15-16H2,1-7H3,(H,29,31)
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33.1 -44.4n/an/a 10.8n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20323
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(1R)-1-(3-fluoro...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H28FN3O2S2/c1-14(16-8-11-19(18(22)12-16)25-29(5,26)27)24-20(28)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,25H,13H2,1-5H3,(H2,23,24,28)/t14-/m1/s1
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39.2 -44.0n/an/a 37n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20317
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(1R)-1-(4-methan...)
Show SMILES C[C@@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)/t15-/m1/s1
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41 -43.9n/an/a 4.5n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20308
PNG
((2R)-2-benzyl-3-[(2S)-2-(3-fluoro-4-methanesulfona...)
Show SMILES C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H33FN2O5S/c1-17(20-11-12-22(21(26)14-20)28-34(5,31)32)23(29)27-15-19(13-18-9-7-6-8-10-18)16-33-24(30)25(2,3)4/h6-12,14,17,19,28H,13,15-16H2,1-5H3,(H,27,29)/t17-,19+/m0/s1
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43 -43.7n/an/a 8.56n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
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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51 -43.3n/an/an/an/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20312
PNG
((2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2R)-2-(3-f...)
Show SMILES C[C@@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21-/m1/s1
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53 -43.2n/an/a 30.3n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
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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PubMed
53.5 -43.2n/an/a 9.20n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20322
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[1-(3-fluoro-4-me...)
Show SMILES CC(NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H28FN3O2S2/c1-14(16-8-11-19(18(22)12-16)25-29(5,26)27)24-20(28)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,25H,13H2,1-5H3,(H2,23,24,28)
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54 -43.2n/an/a 9.20n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
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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54 -43.2n/an/a 7.80n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20289
PNG
(2-[(4-tert-butylphenyl)methyl]-3-[2-(4-methanesulf...)
Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C29H42N2O5S/c1-20(23-11-15-25(16-12-23)31-37(8,34)35)26(32)30-18-22(19-36-27(33)29(5,6)7)17-21-9-13-24(14-10-21)28(2,3)4/h9-16,20,22,31H,17-19H2,1-8H3,(H,30,32)
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55 -43.1n/an/a 52n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20316
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[1-(4-methanesulf...)
Show SMILES CC(NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)
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59.3 -42.9n/an/a 14.7n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
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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63 -42.8n/an/a 54n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20309
PNG
((2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2R)-2-(3-f...)
Show SMILES C[C@@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21+/m1/s1
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64 -42.7n/an/a 142n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20331
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[1-(4-methanesulf...)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)NC(=S)NCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H31N3O3S2/c1-15(17-9-12-19(20(13-17)28-5)25-30(6,26)27)24-21(29)23-14-16-7-10-18(11-8-16)22(2,3)4/h7-13,15,25H,14H2,1-6H3,(H2,23,24,29)
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67 -42.6n/an/a 28.6n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20298
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-[2-(4-methanesulf...)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1
Show InChI InChI=1S/C28H40N2O6S/c1-18-9-10-21(13-19(18)2)14-22(17-36-27(32)28(4,5)6)16-29-26(31)20(3)23-11-12-24(25(15-23)35-7)30-37(8,33)34/h9-13,15,20,22,30H,14,16-17H2,1-8H3,(H,29,31)
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71 -42.4n/an/a 13.6n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20288
PNG
(2-[(4-tert-butylphenyl)methyl]-3-[1-(3-fluoro-4-me...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H39FN2O5S/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-26(33)28(4,5)6)17-30-25(32)16-20-10-13-24(23(29)15-20)31-37(7,34)35/h8-13,15,21,31H,14,16-18H2,1-7H3,(H,30,32)
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74 -42.3n/an/a 440n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20328
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NC(c2ccccc2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C26H30FN3O2S2/c1-26(2,3)21-13-10-18(11-14-21)17-28-25(33)29-24(19-8-6-5-7-9-19)20-12-15-23(22(27)16-20)30-34(4,31)32/h5-16,24,30H,17H2,1-4H3,(H2,28,29,33)
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100 -41.6n/an/a 860n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20295
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-[2-(4-methanesulf...)
Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C27H38N2O5S/c1-18-8-9-21(14-19(18)2)15-22(17-34-26(31)27(4,5)6)16-28-25(30)20(3)23-10-12-24(13-11-23)29-35(7,32)33/h8-14,20,22,29H,15-17H2,1-7H3,(H,28,30)
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119 -41.1n/an/a 38n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20301
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-[2-(4-methanesulf...)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1
Show InChI InChI=1S/C29H42N2O6S/c1-19-10-11-21(14-20(19)2)15-22(18-37-27(33)28(3,4)5)17-30-26(32)29(6,7)23-12-13-24(25(16-23)36-8)31-38(9,34)35/h10-14,16,22,31H,15,17-18H2,1-9H3,(H,30,32)
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153 -40.5n/an/a 133n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20294
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-[1-(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=O)Cc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H35FN2O5S/c1-17-7-8-19(11-18(17)2)12-21(16-34-25(31)26(3,4)5)15-28-24(30)14-20-9-10-23(22(27)13-20)29-35(6,32)33/h7-11,13,21,29H,12,14-16H2,1-6H3,(H,28,30)
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157 -40.4n/an/a 151n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20320
PNG
(1-[(4-tert-butylphenyl)methyl]-3-[1-(4-methanesulf...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NC2(CC2)c2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C22H29N3O2S2/c1-21(2,3)17-7-5-16(6-8-17)15-23-20(28)24-22(13-14-22)18-9-11-19(12-10-18)25-29(4,26)27/h5-12,25H,13-15H2,1-4H3,(H2,23,24,28)
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171 -40.2n/an/a 60n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20325
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[1-(3-fluoro-4-me...)
Show SMILES CCC(NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H30FN3O2S2/c1-6-19(16-9-12-20(18(23)13-16)26-30(5,27)28)25-21(29)24-14-15-7-10-17(11-8-15)22(2,3)4/h7-13,19,26H,6,14H2,1-5H3,(H2,24,25,29)
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230 -39.4n/an/a 54n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20304
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-{[1-(4-methanesul...)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C1(CC1)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1
Show InChI InChI=1S/C29H40N2O6S/c1-19-8-9-21(14-20(19)2)15-22(18-37-27(33)28(3,4)5)17-30-26(32)29(12-13-29)23-10-11-24(25(16-23)36-6)31-38(7,34)35/h8-11,14,16,22,31H,12-13,15,17-18H2,1-7H3,(H,30,32)
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239 -39.3n/an/a 118n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20300
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-[2-(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C28H39FN2O5S/c1-18-9-10-20(13-19(18)2)14-21(17-36-26(33)27(3,4)5)16-30-25(32)28(6,7)22-11-12-24(23(29)15-22)31-37(8,34)35/h9-13,15,21,31H,14,16-17H2,1-8H3,(H,30,32)
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280 -38.9n/an/a 65n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20307
PNG
((2R)-2-benzyl-3-[(2R)-2-(3-fluoro-4-methanesulfona...)
Show SMILES C[C@@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H33FN2O5S/c1-17(20-11-12-22(21(26)14-20)28-34(5,31)32)23(29)27-15-19(13-18-9-7-6-8-10-18)16-33-24(30)25(2,3)4/h6-12,14,17,19,28H,13,15-16H2,1-5H3,(H,27,29)/t17-,19-/m1/s1
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PubMed
298 -38.7n/an/a 98n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20326
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[1-(3-fluoro-4-me...)
Show SMILES CC(C)C(NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C23H32FN3O2S2/c1-15(2)21(17-9-12-20(19(24)13-17)27-31(6,28)29)26-22(30)25-14-16-7-10-18(11-8-16)23(3,4)5/h7-13,15,21,27H,14H2,1-6H3,(H2,25,26,30)
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339 -38.4n/an/a 223n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20299
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-[2-(4-methanesulf...)
Show SMILES Cc1ccc(CC(CNC(=O)C(C)(C)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C28H40N2O5S/c1-19-9-10-21(15-20(19)2)16-22(18-35-26(32)27(3,4)5)17-29-25(31)28(6,7)23-11-13-24(14-12-23)30-36(8,33)34/h9-15,22,30H,16-18H2,1-8H3,(H,29,31)
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370 -38.2n/an/a 104n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20333
PNG
(1-[(4-tert-butylphenyl)methyl]-3-[1-(4-methanesulf...)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C1(CC1)NC(=S)NCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H31N3O3S2/c1-22(2,3)17-8-6-16(7-9-17)15-24-21(30)25-23(12-13-23)18-10-11-19(20(14-18)29-4)26-31(5,27)28/h6-11,14,26H,12-13,15H2,1-5H3,(H2,24,25,30)
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370 -38.2n/an/a 243n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20305
PNG
((2S)-2-benzyl-3-[(2R)-2-(3-fluoro-4-methanesulfona...)
Show SMILES C[C@@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C25H33FN2O5S/c1-17(20-11-12-22(21(26)14-20)28-34(5,31)32)23(29)27-15-19(13-18-9-7-6-8-10-18)16-33-24(30)25(2,3)4/h6-12,14,17,19,28H,13,15-16H2,1-5H3,(H,27,29)/t17-,19+/m1/s1
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370 -38.2n/an/a 205n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20302
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-{[1-(4-methanesul...)
Show SMILES Cc1ccc(CC(CNC(=O)C2(CC2)c2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C28H38N2O5S/c1-19-7-8-21(15-20(19)2)16-22(18-35-26(32)27(3,4)5)17-29-25(31)28(13-14-28)23-9-11-24(12-10-23)30-36(6,33)34/h7-12,15,22,30H,13-14,16-18H2,1-6H3,(H,29,31)
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396 -38.0n/an/a 197n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
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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PubMed
1.30E+3 -34.9n/an/a 520n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
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+3 -34.9n/an/a 520n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20303
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-{[1-(3-fluoro-4-m...)
Show SMILES Cc1ccc(CC(CNC(=O)C2(CC2)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C28H37FN2O5S/c1-18-7-8-20(13-19(18)2)14-21(17-36-26(33)27(3,4)5)16-30-25(32)28(11-12-28)22-9-10-24(23(29)15-22)31-37(6,34)35/h7-10,13,15,21,31H,11-12,14,16-17H2,1-6H3,(H,30,32)
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PubMed
1.58E+3 -34.4n/an/a 567n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20327
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[1-(3-fluoro-4-me...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NC(Cc2ccccc2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C27H32FN3O2S2/c1-27(2,3)22-13-10-20(11-14-22)18-29-26(34)30-25(16-19-8-6-5-7-9-19)21-12-15-24(23(28)17-21)31-35(4,32)33/h5-15,17,25,31H,16,18H2,1-4H3,(H2,29,30,34)
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1.74E+3 -34.2n/an/a 700n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20324
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(1S)-1-(3-fluoro...)
Show SMILES C[C@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H28FN3O2S2/c1-14(16-8-11-19(18(22)12-16)25-29(5,26)27)24-20(28)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,25H,13H2,1-5H3,(H2,23,24,28)/t14-/m0/s1
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2.14E+3 -33.7n/an/a 2.67E+3n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20332
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[2-(4-methanesulf...)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)(C)NC(=S)NCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H33N3O3S2/c1-22(2,3)17-10-8-16(9-11-17)15-24-21(30)25-23(4,5)18-12-13-19(20(14-18)29-6)26-31(7,27)28/h8-14,26H,15H2,1-7H3,(H2,24,25,30)
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2.89E+3 -32.9n/an/a 663n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20318
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(1S)-1-(4-methan...)
Show SMILES C[C@H](NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-15(17-8-12-19(13-9-17)24-28(5,25)26)23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,24H,14H2,1-5H3,(H2,22,23,27)/t15-/m0/s1
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PubMed
3.95E+3 -32.1n/an/an/an/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20329
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[2-(3-fluoro-4-me...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NC(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C22H30FN3O2S2/c1-21(2,3)16-9-7-15(8-10-16)14-24-20(29)25-22(4,5)17-11-12-19(18(23)13-17)26-30(6,27)28/h7-13,26H,14H2,1-6H3,(H2,24,25,29)
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PubMed
7.70E+3 -30.4n/an/a 980n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20319
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[2-(4-methanesulf...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NC(C)(C)c2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C22H31N3O2S2/c1-21(2,3)17-9-7-16(8-10-17)15-23-20(28)24-22(4,5)18-11-13-19(14-12-18)25-29(6,26)27/h7-14,25H,15H2,1-6H3,(H2,23,24,28)
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PubMed
n/an/an/an/a 1.80E+3n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


Bioorg Med Chem 15: 6043-53 (2007)


Article DOI: 10.1016/j.bmc.2007.06.041
BindingDB Entry DOI: 10.7270/Q2X928KS
More data for this
Ligand-Target Pair
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