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Compile Data Set for Download or QSAR

Found 157 hits of ec50 data for polymerid = 2071   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247741
PNG
(CHEMBL503101 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
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)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C38H43NO10S/c1-22(2)36-18-24(4)38-28(34(36)47-37(48-36,49-38)20-25-10-8-7-9-11-25)15-27(19-35(42)31(38)14-23(3)33(35)41)21-46-32(40)17-26-12-13-29(30(16-26)45-5)39-50(6,43)44/h7-16,24,28,31,34,39,42H,1,17-21H2,2-6H3/t24-,28+,31-,34-,35-,36+,37?,38-/m1/s1
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n/an/an/an/a 0.106n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50366620
PNG
(RESINIFERATOXIN)
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)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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n/an/an/an/a 0.270n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50366620
PNG
(RESINIFERATOXIN)
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)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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n/an/an/an/a 0.270n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake


Bioorg Med Chem Lett 21: 299-302 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50333930
PNG
(CHEMBL1644419 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1N
Show InChI InChI=1S/C37H41NO8/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/h6-15,23,27,30,33,41H,1,16-20,38H2,2-5H3/t23-,27+,30-,33?,34-,35+,36?,37?/m1/s1
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n/an/an/an/a 0.460n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake


Bioorg Med Chem Lett 21: 299-302 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB
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 -11.9n/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))
BDBM50333931
PNG
(CHEMBL1644420 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(F)c1N
Show InChI InChI=1S/C37H40FNO8/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(40)15-24-13-27(38)31(39)28(14-24)43-5/h6-14,22,26,29,33,42H,1,15-19,39H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1
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n/an/an/an/a 1.14n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake


Bioorg Med Chem Lett 21: 299-302 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247743
PNG
(CHEMBL504206 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C37H41NO9S/c1-22(2)35-18-24(4)37-29(33(35)45-36(46-35,47-37)20-26-9-7-6-8-10-26)16-27(19-34(41)30(37)15-23(3)32(34)40)21-44-31(39)17-25-11-13-28(14-12-25)38-48(5,42)43/h6-16,24,29-30,33,38,41H,1,17-21H2,2-5H3/t24-,29+,30-,33-,34-,35+,36?,37-/m1/s1
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n/an/an/an/a 1.78n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247748
PNG
(CHEMBL510228 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)cc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-27(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-24(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)14-25-10-11-26(37)15-28(25)38/h5-13,15,22,27,29,32,41H,1,14,16-19H2,2-4H3/t22-,27+,29-,32-,33-,34+,35?,36-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50440401
PNG
(CHEMBL2425550)
Show SMILES COc1cc(OC(=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)ccc1N
Show InChI InChI=1S/C36H39NO9/c1-20(2)34-16-22(4)36-26(31(34)44-35(45-34,46-36)18-23-9-7-6-8-10-23)14-24(17-33(40)29(36)13-21(3)30(33)38)19-42-32(39)43-25-11-12-27(37)28(15-25)41-5/h6-15,22,26,29,31,40H,1,16-19,37H2,2-5H3/t22-,26+,29-,31-,33-,34-,35-,36-/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as stimulation of Ca2+ uptake


Eur J Med Chem 68: 233-43 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50333925
PNG
(CHEMBL1644414 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(F)c1O
Show InChI InChI=1S/C37H39FO9/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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n/an/an/an/a 1.88n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake


Bioorg Med Chem Lett 21: 299-302 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247745
PNG
(CHEMBL455555 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cccc(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-24-9-6-5-7-10-24)15-26(18-33(40)29(36)13-22(3)31(33)39)20-41-30(38)16-25-11-8-12-27(37)14-25/h5-15,23,28-29,32,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34+,35?,36-/m1/s1
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n/an/an/an/a 1.92n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
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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n/an/an/an/a 1.97n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro [Ca2+] influx relative to capsaicin by Rat Vanilloid receptor (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))
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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n/an/an/an/a 2n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as maximal calcium uptake


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247742
PNG
(CHEMBL509154 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C37H40FNO9S/c1-21(2)35-17-23(4)37-27(33(35)46-36(47-35,48-37)19-24-9-7-6-8-10-24)14-26(18-34(42)30(37)13-22(3)32(34)41)20-45-31(40)16-25-11-12-29(28(38)15-25)39-49(5,43)44/h6-15,23,27,30,33,39,42H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1
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n/an/an/an/a 2.45n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196351
PNG
(1-(4-tert-Butyl-benzyl)-3-(4-hydroxy-3-methoxy-ben...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C20H26N2O2S/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(25)22-13-15-7-10-17(23)18(11-15)24-4/h5-11,23H,12-13H2,1-4H3,(H2,21,22,25)
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n/an/an/an/a 2.5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as maximal calcium uptake


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196351
PNG
(1-(4-tert-Butyl-benzyl)-3-(4-hydroxy-3-methoxy-ben...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C20H26N2O2S/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(25)22-13-15-7-10-17(23)18(11-15)24-4/h5-11,23H,12-13H2,1-4H3,(H2,21,22,25)
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n/an/an/an/a 2.60n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem Lett 22: 5227-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.059
BindingDB Entry DOI: 10.7270/Q2NS0VZB
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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n/an/an/an/a 2.80n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as maximal calcium uptake


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
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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n/an/an/an/a 2.83n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro [Ca2+] influx relative to capsaicin by Rat Vanilloid receptor (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))
BDBM50440399
PNG
(CHEMBL2425544)
Show SMILES COc1cc(OC(=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)cc(F)c1N
Show InChI InChI=1S/C36H38FNO9/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,41H,1,15-18,38H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as stimulation of Ca2+ uptake


Eur J Med Chem 68: 233-43 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G
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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13.6 -11.2n/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))
BDBM50247746
PNG
(CHEMBL502769 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34+,35?,36-/m1/s1
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n/an/an/an/a 3.88n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50330654
PNG
(CHEMBL1277576 | N-[3-pivaloyloxy-2-(4-t-butylbenzy...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C28H39NO5/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-34-26(32)28(4,5)6)17-29-25(31)16-20-10-13-23(30)24(15-20)33-7/h8-13,15,21,30H,14,16-18H2,1-7H3,(H,29,31)
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n/an/an/an/a 4.08n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as increase of capsaicin-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247749
PNG
(CHEMBL510583 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cc(F)ccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-27(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-24(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)15-25-14-26(37)10-11-28(25)38/h5-14,22,27,29,32,41H,1,15-19H2,2-4H3/t22-,27+,29-,32-,33-,34+,35?,36-/m1/s1
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n/an/an/an/a 4.21n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
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 -10.5n/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))
BDBM50440400
PNG
(CHEMBL2425551)
Show SMILES COc1cc(OC(=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)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C37H41NO11S/c1-21(2)35-17-23(4)37-27(32(35)47-36(48-35,49-37)19-24-10-8-7-9-11-24)15-25(18-34(41)30(37)14-22(3)31(34)39)20-45-33(40)46-26-12-13-28(29(16-26)44-5)38-50(6,42)43/h7-16,23,27,30,32,38,41H,1,17-20H2,2-6H3/t23-,27+,30-,32-,34-,35-,36-,37-/m1/s1
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n/an/an/an/a 4.60n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as stimulation of Ca2+ uptake


Eur J Med Chem 68: 233-43 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247744
PNG
(CHEMBL504725 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-27(32(34)42-35(43-34,44-36)19-24-10-6-5-7-11-24)15-25(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-26-12-8-9-13-28(26)37/h5-15,23,27,29,32,40H,1,16-20H2,2-4H3/t23-,27+,29-,32-,33-,34+,35?,36-/m1/s1
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n/an/an/an/a 4.65n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50440402
PNG
(CHEMBL2425547)
Show SMILES COc1cc(OC(=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)cc(F)c1O
Show InChI InChI=1S/C36H37FO10/c1-19(2)34-15-21(4)36-25(31(34)45-35(46-34,47-36)17-22-9-7-6-8-10-22)12-23(16-33(41)28(36)11-20(3)30(33)39)18-43-32(40)44-24-13-26(37)29(38)27(14-24)42-5/h6-14,21,25,28,31,38,41H,1,15-18H2,2-5H3/t21-,25+,28-,31-,33-,34-,35-,36-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as stimulation of Ca2+ uptake


Eur J Med Chem 68: 233-43 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G
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 -12.4n/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))
BDBM50247751
PNG
(CHEMBL449201 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-25(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)15-24-10-11-27(37)28(38)14-24/h5-14,22,26,29,32,41H,1,15-19H2,2-4H3/t22-,26+,29-,32-,33-,34+,35?,36-/m1/s1
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n/an/an/an/a 5.5n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50333926
PNG
(CHEMBL1644415 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Cl)c1O
Show InChI InChI=1S/C37H39ClO9/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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n/an/an/an/a 5.70n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake


Bioorg Med Chem Lett 21: 299-302 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196346
PNG
(2-(3-(4-hydroxy-3-methoxybenzyl)thioureido)-3-(4-t...)
Show SMILES COc1cc(CNC(=S)NC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C27H38N2O4S/c1-26(2,3)20-11-8-18(9-12-20)14-21(17-33-24(31)27(4,5)6)29-25(34)28-16-19-10-13-22(30)23(15-19)32-7/h8-13,15,21,30H,14,16-17H2,1-7H3,(H2,28,29,34)
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n/an/an/an/a 5.70n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as maximal calcium uptake


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
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 -10.3n/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))
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 -10.4n/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))
BDBM50247747
PNG
(CHEMBL509331 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cccc(F)c4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-9-6-5-7-10-23)14-24(17-33(41)28(36)13-21(3)31(33)40)19-42-29(39)15-25-11-8-12-27(37)30(25)38/h5-14,22,26,28,32,41H,1,15-19H2,2-4H3/t22-,26+,28-,32-,33-,34+,35?,36-/m1/s1
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n/an/an/an/a 9.10n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
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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53.5 -10.3n/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 -10.3n/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))
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 -11.0n/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))
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 -10.6n/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))
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 -11.6n/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))
BDBM50247750
PNG
(CHEMBL455155 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4c(F)cccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-9-6-5-7-10-23)14-24(17-33(41)29(36)13-21(3)31(33)40)19-42-30(39)15-25-27(37)11-8-12-28(25)38/h5-14,22,26,29,32,41H,1,15-19H2,2-4H3/t22-,26+,29-,32-,33-,34+,35?,36-/m1/s1
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n/an/an/an/a 11.3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
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 -12.0n/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))
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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0.610 -13.1n/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))
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 -12.0n/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))
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 -10.1n/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))
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 -10.2n/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))
BDBM50196334
PNG
(2-(3-(4-hydroxy-3-methoxybenzyl)thioureido)-4-(3,4...)
Show SMILES COc1cc(CNC(=S)NC(CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)ccc1O
Show InChI InChI=1S/C26H36N2O4S/c1-17-7-8-19(13-18(17)2)9-11-21(16-32-24(30)26(3,4)5)28-25(33)27-15-20-10-12-22(29)23(14-20)31-6/h7-8,10,12-14,21,29H,9,11,15-16H2,1-6H3,(H2,27,28,33)
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n/an/an/an/a 15n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as maximal calcium uptake


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50388085
PNG
(CHEMBL2057857)
Show SMILES COc1cc(ccc1O)C(C)C(=O)NCCCc1ccc(C)c(C)c1
Show InChI InChI=1S/C21H27NO3/c1-14-7-8-17(12-15(14)2)6-5-11-22-21(24)16(3)18-9-10-19(23)20(13-18)25-4/h7-10,12-13,16,23H,5-6,11H2,1-4H3,(H,22,24)
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n/an/an/an/a 21.3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem Lett 22: 5227-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.059
BindingDB Entry DOI: 10.7270/Q2NS0VZB
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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n/an/an/an/a 22n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro [Ca2+] influx relative to capsaicin by Rat Vanilloid receptor (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))
BDBM50196348
PNG
(2-(3-(4-hydroxy-3-methoxybenzyl)thioureido)-4-(4-t...)
Show SMILES COc1cc(CNC(=S)NC(CCc2ccc(cc2)C(C)(C)C)COC(=O)C(C)(C)C)ccc1O
Show InChI InChI=1S/C28H40N2O4S/c1-27(2,3)21-12-8-19(9-13-21)10-14-22(18-34-25(32)28(4,5)6)30-26(35)29-17-20-11-15-23(31)24(16-20)33-7/h8-9,11-13,15-16,22,31H,10,14,17-18H2,1-7H3,(H2,29,30,35)
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n/an/an/an/a 22n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 expressed in CHO cells assessed as maximal calcium uptake


Bioorg Med Chem Lett 17: 214-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.059
BindingDB Entry DOI: 10.7270/Q27D2TSX
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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UniChem

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Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist effect on 45 [Ca2+] influx in vanilloid receptor expressing CHO cells relative to maximal capsaicin (300 nM) response


Bioorg Med Chem Lett 14: 2291-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.002
BindingDB Entry DOI: 10.7270/Q2TT4QCG
More data for this
Ligand-Target Pair
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