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Compile Data Set for Download or QSAR

Found 566 hits of ec50 data for polymerid = 2071,6342   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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 0.0190n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRPV1 expressed in human HEK293 cells


Bioorg Med Chem Lett 17: 132-5 (2006)

More data for this
Ligand-Target Pair
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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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 0.920n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake after 20 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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 0.920n/an/an/an/a



Seoul National University

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444876
PNG
(CHEMBL3099608)
Show SMILES COc1cc(CNC(=S)NC[C@H](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)/t21-/m1/s1
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n/an/an/an/a 0.990n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake after 20 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50096278
PNG
(CHEMBL3593576)
Show SMILES CCC(C)N=C=S
Show InChI InChI=1S/C16H14N3O6P/c20-13(21)4-8-2-1-3-10-11(8)5-12-14(10)18-16(22)15-17-9(6-19(12)15)7-26(23,24)25/h1-3,6H,4-5,7H2,(H,18,22)(H,20,21)(H2,23,24,25)
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n/an/an/an/a 1n/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Activation of human TRPV1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay


J Nat Prod 78: 1937-41 (2015)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50163223
PNG
(1-(4-Trifluoromethyl-phenyl)-3-[1-(3-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(C2)c2ncccc2C(F)(F)F)cc1
Show InChI InChI=1S/C18H16F6N4O/c19-17(20,21)11-3-5-12(6-4-11)26-16(29)27-13-7-9-28(10-13)15-14(18(22,23)24)2-1-8-25-15/h1-6,8,13H,7,9-10H2,(H2,26,27,29)
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n/an/an/an/a>1n/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Effective concentration against human transient receptor potential vanilloid 1 receptor (n=6); Inactive


J Med Chem 48: 1857-72 (2005)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50096277
PNG
(ISOPROPYL ISOTHIOCYANATE | Isopropyl Isothiocyanat...)
Show SMILES CC(C)N=C=S
Show InChI InChI=1S/C22H15N3O5/c26-18(27)8-13-2-1-3-14-15(13)9-17-19(14)24-21(28)20-23-16(10-25(17)20)11-4-6-12(7-5-11)22(29)30/h1-7,10H,8-9H2,(H,24,28)(H,26,27)(H,29,30)
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n/an/an/an/a 1n/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Activation of human TRPV1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2+ imaging assay


J Nat Prod 78: 1937-41 (2015)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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 1.30n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake after 20 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50196616
PNG
((E)-3-(4-hydroxy-3-methoxy-phenyl)-acrylic acid (3...)
Show SMILES COc1cc(\C=C\C(=O)OCC2=C[C@H]3[C@H]4OCO[C@]4(C[C@@H](C)[C@]3(OCc3ccccc3)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O
Show InChI InChI=1S/C38H42O9/c1-23(2)37-18-25(4)38(46-21-27-9-7-6-8-10-27)29(35(37)45-22-47-37)16-28(19-36(42)32(38)15-24(3)34(36)41)20-44-33(40)14-12-26-11-13-30(39)31(17-26)43-5/h6-17,25,29,32,35,39,42H,1,18-22H2,2-5H3/b14-12+/t25-,29+,32-,35-,36-,37-,38-/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRPV1 expressed in human HEK293 cells


Bioorg Med Chem Lett 17: 132-5 (2006)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50196621
PNG
(4-hydroxy-3-iodo-5-methoxy-benzoic acid (3aR,3bR,4...)
Show SMILES COc1cc(cc(I)c1O)C(=O)OCC1=C[C@H]2[C@H]3OCO[C@]3(C[C@@H](C)[C@]2(OCc2ccccc2)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1)C(C)=C
Show InChI InChI=1S/C36H39IO9/c1-20(2)35-15-22(4)36(45-18-23-9-7-6-8-10-23)26(32(35)44-19-46-35)12-24(16-34(41)29(36)11-21(3)31(34)39)17-43-33(40)25-13-27(37)30(38)28(14-25)42-5/h6-14,22,26,29,32,38,41H,1,15-19H2,2-5H3/t22-,26+,29-,32-,34-,35-,36-/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRPV1 expressed in human HEK293 cells


Bioorg Med Chem Lett 17: 132-5 (2006)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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 1.90n/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Induced [Ca2+] influx in Vanilloid receptor subtype 1 expressing HEK 293 cells


Bioorg Med Chem Lett 12: 1189-92 (2002)

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)

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)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50415874
PNG
(CHEMBL1095331)
Show SMILES COc1cc(\C=C\C(=O)N2CCCCC2)ccc1O
Show InChI InChI=1S/C15H19NO3/c1-19-14-11-12(5-7-13(14)17)6-8-15(18)16-9-3-2-4-10-16/h5-8,11,17H,2-4,9-10H2,1H3/b8-6+
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n/an/an/an/a 2n/an/an/an/a



Universidad de Antioquia

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in tetracycline-stimulated HEK293 cells assessed as inhibition of capsaicin-induced intracellular calciu...


Bioorg Med Chem 18: 3299-306 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/an/an/a 2.10n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 50: 3651-60 (2007)

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)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50415875
PNG
(CHEMBL1097704)
Show SMILES COc1cc(\C=C\C(=O)N2CCOCC2)ccc1O
Show InChI InChI=1S/C14H17NO4/c1-18-13-10-11(2-4-12(13)16)3-5-14(17)15-6-8-19-9-7-15/h2-5,10,16H,6-9H2,1H3/b5-3+
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n/an/an/an/a 2.51n/an/an/an/a



Universidad de Antioquia

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in tetracycline-stimulated HEK293 cells assessed as inhibition of capsaicin-induced intracellular calciu...


Bioorg Med Chem 18: 3299-306 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50415876
PNG
(CHEMBL1096703)
Show SMILES COc1cc(\C=C\C(=O)N2CCSCC2)ccc1O
Show InChI InChI=1S/C14H17NO3S/c1-18-13-10-11(2-4-12(13)16)3-5-14(17)15-6-8-19-9-7-15/h2-5,10,16H,6-9H2,1H3/b5-3+
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n/an/an/an/a 2.51n/an/an/an/a



Universidad de Antioquia

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in tetracycline-stimulated HEK293 cells assessed as inhibition of capsaicin-induced intracellular calciu...


Bioorg Med Chem 18: 3299-306 (2010)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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n/an/an/an/a 2.51n/an/an/an/a



Universidad de Antioquia

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in tetracycline-stimulated HEK293 cells assessed as increase in intracellular calcium levels by fluorimetri...


Bioorg Med Chem 18: 3299-306 (2010)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20351
PNG
(3-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-1-isoqu...)
Show SMILES Fc1cc(CNC(=O)Nc2cccc3cnccc23)ccc1N1CCCCCC1
Show InChI InChI=1S/C23H25FN4O/c24-20-14-17(8-9-22(20)28-12-3-1-2-4-13-28)15-26-23(29)27-21-7-5-6-18-16-25-11-10-19(18)21/h5-11,14,16H,1-4,12-13,15H2,(H2,26,27,29)
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n/an/an/an/a 2.80n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 50: 3651-60 (2007)

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)

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)

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)

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 -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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20344
PNG
(3-({4-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]pheny...)
Show SMILES O=C(NCc1ccc(cc1)N1[C@H]2CC[C@@H]1CCC2)Nc1cccc2cnccc12
Show InChI InChI=1S/C24H26N4O/c29-24(27-23-6-1-3-18-16-25-14-13-22(18)23)26-15-17-7-9-21(10-8-17)28-19-4-2-5-20(28)12-11-19/h1,3,6-10,13-14,16,19-20H,2,4-5,11-12,15H2,(H2,26,27,29)/t19-,20+
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n/an/an/an/a 3.30n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 50: 3651-60 (2007)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20338
PNG
(3-{[4-(azepan-1-yl)phenyl]methyl}-1-isoquinolin-5-...)
Show SMILES O=C(NCc1ccc(cc1)N1CCCCCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C23H26N4O/c28-23(26-22-7-5-6-19-17-24-13-12-21(19)22)25-16-18-8-10-20(11-9-18)27-14-3-1-2-4-15-27/h5-13,17H,1-4,14-16H2,(H2,25,26,28)
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n/an/an/an/a 3.30n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 50: 3651-60 (2007)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20345
PNG
(3-{[4-(azepan-1-yl)phenyl]methyl}-1-(3-methylisoqu...)
Show SMILES Cc1cc2c(NC(=O)NCc3ccc(cc3)N3CCCCCC3)cccc2cn1
Show InChI InChI=1S/C24H28N4O/c1-18-15-22-20(17-25-18)7-6-8-23(22)27-24(29)26-16-19-9-11-21(12-10-19)28-13-4-2-3-5-14-28/h6-12,15,17H,2-5,13-14,16H2,1H3,(H2,26,27,29)
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n/an/an/an/a 3.80n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 50: 3651-60 (2007)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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n/an/an/an/a 3.90n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 ion channel expressed in HEK293 cells assessed as calcium influx by fluo-4-Am-based fluorimetry


Bioorg Med Chem Lett 22: 1674-7 (2012)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/an/an/a 4n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 48: 744-52 (2005)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20334
PNG
(1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-ur...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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n/an/an/an/a 4n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


Bioorg Med Chem Lett 17: 3894-9 (2007)

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)

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)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20350
PNG
(3-{[4-(azepan-1-yl)-3-(trifluoromethyl)phenyl]meth...)
Show SMILES FC(F)(F)c1cc(CNC(=O)Nc2cccc3cnccc23)ccc1N1CCCCCC1
Show InChI InChI=1S/C24H25F3N4O/c25-24(26,27)20-14-17(8-9-22(20)31-12-3-1-2-4-13-31)15-29-23(32)30-21-7-5-6-18-16-28-11-10-19(18)21/h5-11,14,16H,1-4,12-13,15H2,(H2,29,30,32)
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n/an/an/an/a 4.60n/an/a7.422



Abbott Laboratories



Assay Description
The functional antagonist activity of compounds at the TRPV1 receptor was determined with a Ca2+ influx assay by measuring the effect on capsaicin (0...


J Med Chem 50: 3651-60 (2007)

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)

More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50196617
PNG
(3-(4-hydroxy-3-methoxy-phenyl)-propionic acid (3aR...)
Show SMILES COc1cc(CCC(=O)OCC2=C[C@H]3[C@H]4OCO[C@]4(C[C@@H](C)[C@]3(OCc3ccccc3)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O
Show InChI InChI=1S/C38H44O9/c1-23(2)37-18-25(4)38(46-21-27-9-7-6-8-10-27)29(35(37)45-22-47-37)16-28(19-36(42)32(38)15-24(3)34(36)41)20-44-33(40)14-12-26-11-13-30(39)31(17-26)43-5/h6-11,13,15-17,25,29,32,35,39,42H,1,12,14,18-22H2,2-5H3/t25-,29+,32-,35-,36-,37-,38-/m1/s1
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n/an/an/an/a 4.60n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRPV1 expressed in human HEK293 cells


Bioorg Med Chem Lett 17: 132-5 (2006)

More data for this
Ligand-Target Pair
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