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Compile Data Set for Download or QSAR

Found 416 hits of ec50 data for polymerid = 6342   
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
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)


Article DOI: 10.1016/j.bmcl.2006.09.077
BindingDB Entry DOI: 10.7270/Q2FN170G
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)


Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G
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)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
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)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
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)


Article DOI: 10.1021/acs.jnatprod.5b00272
BindingDB Entry DOI: 10.7270/Q27946FQ
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)


Article DOI: 10.1021/acs.jnatprod.5b00272
BindingDB Entry DOI: 10.7270/Q27946FQ
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)


Article DOI: 10.1021/jm0495071
BindingDB Entry DOI: 10.7270/Q2KH0MT8
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)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
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)


Article DOI: 10.1016/j.bmcl.2006.09.077
BindingDB Entry DOI: 10.7270/Q2FN170G
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)


Article DOI: 10.1016/j.bmcl.2006.09.077
BindingDB Entry DOI: 10.7270/Q2FN170G
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)


Article DOI: 10.1016/s0960-894x(02)00127-0
BindingDB Entry DOI: 10.7270/Q2VX0H2S
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)


Article DOI: 10.1016/j.bmc.2010.03.013
BindingDB Entry DOI: 10.7270/Q24M95RD
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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
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)


Article DOI: 10.1016/j.bmc.2010.03.013
BindingDB Entry DOI: 10.7270/Q24M95RD
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)


Article DOI: 10.1016/j.bmc.2010.03.013
BindingDB Entry DOI: 10.7270/Q24M95RD
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)


Article DOI: 10.1016/j.bmc.2010.03.013
BindingDB Entry DOI: 10.7270/Q24M95RD
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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
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)


Article DOI: 10.1016/j.bmcl.2011.12.113
BindingDB Entry DOI: 10.7270/Q20002JM
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)


Article DOI: 10.1016/j.bmcl.2007.04.105
BindingDB Entry DOI: 10.7270/Q2NV9GH2
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)


Article DOI: 10.1021/jm0492958
BindingDB Entry DOI: 10.7270/Q2J38QT3
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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
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)


Article DOI: 10.1016/j.bmcl.2006.09.077
BindingDB Entry DOI: 10.7270/Q2FN170G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50305285
PNG
(CHEMBL595262 | [(1R,2R,6R,10S,11R,13S,15R,17R)-13-...)
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(I)c1O
Show InChI InChI=1S/C36H37IO10/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 4.70n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase in intracellular calcium level


Bioorg Med Chem Lett 20: 97-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.035
BindingDB Entry DOI: 10.7270/Q2W37X84
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50196615
PNG
(CHEMBL391808 | phenyl-acetic acid (3aR,3bR,4R,5aR,...)
Show SMILES C[C@@H]1C[C@@]2(OCO[C@@H]2[C@@H]2C=C(COC(=O)Cc3ccccc3)C[C@@]3(O)[C@@H](C=C(C)C3=O)[C@@]12OCc1ccccc1)C(C)=C
Show InChI InChI=1S/C36H40O7/c1-23(2)35-18-25(4)36(42-21-27-13-9-6-10-14-27)29(33(35)41-22-43-35)16-28(19-34(39)30(36)15-24(3)32(34)38)20-40-31(37)17-26-11-7-5-8-12-26/h5-16,25,29-30,33,39H,1,17-22H2,2-4H3/t25-,29+,30-,33-,34-,35-,36-/m1/s1
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n/an/an/an/a 4.70n/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)


Article DOI: 10.1016/j.bmcl.2006.09.077
BindingDB Entry DOI: 10.7270/Q2FN170G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20339
PNG
(3-{[4-(azocan-1-yl)phenyl]methyl}-1-isoquinolin-5-...)
Show SMILES O=C(NCc1ccc(cc1)N1CCCCCCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C24H28N4O/c29-24(27-23-8-6-7-20-18-25-14-13-22(20)23)26-17-19-9-11-21(12-10-19)28-15-4-2-1-3-5-16-28/h6-14,18H,1-5,15-17H2,(H2,26,27,29)
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n/an/an/an/a 4.70n/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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20458
PNG
(1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-...)
Show SMILES CC(C)(C)c1ccc2[C@@H](CCc2c1)NC(=O)Nc1cccc2cnccc12
Show InChI InChI=1S/C23H25N3O/c1-23(2,3)17-8-9-18-15(13-17)7-10-21(18)26-22(27)25-20-6-4-5-16-14-24-12-11-19(16)20/h4-6,8-9,11-14,21H,7,10H2,1-3H3,(H2,25,26,27)/t21-/m1/s1
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7 -11.1n/an/a 5n/an/a7.425



Abbott Laboratories



Assay Description
The hTRPV1-expressing CHO cell membranes were incubated with [3H]A-778317 and test compounds to establish equilibrium. After incubation was terminate...


J Pharmacol Exp Ther 323: 285-93 (2007)


Article DOI: 10.1124/jpet.107.124305
BindingDB Entry DOI: 10.7270/Q28K77B0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20500
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphen...)
Show SMILES Cc1ccc(cc1F)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br
Show InChI InChI=1S/C18H19BrFN3O/c1-12-6-7-14(10-16(12)20)23-9-8-13(11-23)21-18(24)22-17-5-3-2-4-15(17)19/h2-7,10,13H,8-9,11H2,1H3,(H2,21,22,24)/t13-/m1/s1
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n/an/an/an/a 5n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20348
PNG
(3-{[4-(azepan-1-yl)-2-chlorophenyl]methyl}-1-isoqu...)
Show SMILES Clc1cc(ccc1CNC(=O)Nc1cccc2cnccc12)N1CCCCCC1
Show InChI InChI=1S/C23H25ClN4O/c24-21-14-19(28-12-3-1-2-4-13-28)9-8-18(21)16-26-23(29)27-22-7-5-6-17-15-25-11-10-20(17)22/h5-11,14-15H,1-4,12-13,16H2,(H2,26,27,29)
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n/an/an/an/a 5.20n/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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20336
PNG
(1-isoquinolin-5-yl-3-{[4-(pyrrolidin-1-yl)phenyl]m...)
Show SMILES O=C(NCc1ccc(cc1)N1CCCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C21H22N4O/c26-21(24-20-5-3-4-17-15-22-11-10-19(17)20)23-14-16-6-8-18(9-7-16)25-12-1-2-13-25/h3-11,15H,1-2,12-14H2,(H2,23,24,26)
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n/an/an/an/a 5.30n/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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
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 5.30n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as Ca2+ influx by Fluo-4 dye based assay


Bioorg Med Chem Lett 25: 1009-11 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.039
BindingDB Entry DOI: 10.7270/Q2VD717Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20349
PNG
(3-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]meth...)
Show SMILES FC(F)(F)c1cc(ccc1CNC(=O)Nc1cccc2cnccc12)N1CCCCCC1
Show InChI InChI=1S/C24H25F3N4O/c25-24(26,27)21-14-19(31-12-3-1-2-4-13-31)9-8-18(21)16-29-23(32)30-22-7-5-6-17-15-28-11-10-20(17)22/h5-11,14-15H,1-4,12-13,16H2,(H2,29,30,32)
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n/an/an/an/a 5.70n/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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20487
PNG
(1-(2-bromophenyl)-3-{2-[ethyl(3-fluoro-4-methylphe...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)c(F)c1
Show InChI InChI=1S/C18H21BrFN3O/c1-3-23(14-9-8-13(2)16(20)12-14)11-10-21-18(24)22-17-7-5-4-6-15(17)19/h4-9,12H,3,10-11H2,1-2H3,(H2,21,22,24)
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n/an/an/an/a 6n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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 6.30n/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)


Article DOI: 10.1016/j.ejmech.2013.07.042
BindingDB Entry DOI: 10.7270/Q2RB761G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50415873
PNG
(PIPERLONGUMININE)
Show SMILES CC(C)CNC(=O)\C=C\C=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+
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n/an/an/an/a 6.31n/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)


Article DOI: 10.1016/j.bmc.2010.03.013
BindingDB Entry DOI: 10.7270/Q24M95RD
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50415877
PNG
(CHEMBL1096704)
Show SMILES COc1cc(\C=C\C(=O)NCC(C)C)ccc1O
Show InChI InChI=1S/C14H19NO3/c1-10(2)9-15-14(17)7-5-11-4-6-12(16)13(8-11)18-3/h4-8,10,16H,9H2,1-3H3,(H,15,17)/b7-5+
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n/an/an/an/a 6.31n/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)


Article DOI: 10.1016/j.bmc.2010.03.013
BindingDB Entry DOI: 10.7270/Q24M95RD
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20337
PNG
(1-isoquinolin-5-yl-3-{[4-(piperidin-1-yl)phenyl]me...)
Show SMILES O=C(NCc1ccc(cc1)N1CCCCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C22H24N4O/c27-22(25-21-6-4-5-18-16-23-12-11-20(18)21)24-15-17-7-9-19(10-8-17)26-13-2-1-3-14-26/h4-12,16H,1-3,13-15H2,(H2,24,25,27)
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n/an/an/an/a 7.30n/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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50196619
PNG
(3-(4-hydroxy-2-iodo-5-methoxy-phenyl)-propionic ac...)
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)c(I)cc1O
Show InChI InChI=1S/C38H43IO9/c1-22(2)37-17-24(4)38(47-20-25-9-7-6-8-10-25)28(35(37)46-21-48-37)14-26(18-36(43)32(38)13-23(3)34(36)42)19-45-33(41)12-11-27-15-31(44-5)30(40)16-29(27)39/h6-10,13-16,24,28,32,35,40,43H,1,11-12,17-21H2,2-5H3/t24-,28+,32-,35-,36-,37-,38-/m1/s1
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n/an/an/an/a 7.90n/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)


Article DOI: 10.1016/j.bmcl.2006.09.077
BindingDB Entry DOI: 10.7270/Q2FN170G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20484
PNG
(1-(2-bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino...)
Show SMILES CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)cc1
Show InChI InChI=1S/C18H22BrN3O/c1-3-22(15-10-8-14(2)9-11-15)13-12-20-18(23)21-17-7-5-4-6-16(17)19/h4-11H,3,12-13H2,1-2H3,(H2,20,21,23)
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n/an/an/an/a 8n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 14: 3631-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.028
BindingDB Entry DOI: 10.7270/Q24T6GM8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/an/an/a 8n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Concentration required to antagonized capsaicin-induced calcium uptake at the transient receptor potential cation channel (subfamily V member 1) expr...


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20499
PNG
(1-(2-bromophenyl)-3-[(3R)-1-(3,4-difluorophenyl)py...)
Show SMILES Fc1ccc(cc1F)N1CC[C@H](C1)NC(=O)Nc1ccccc1Br
Show InChI InChI=1S/C17H16BrF2N3O/c18-13-3-1-2-4-16(13)22-17(24)21-11-7-8-23(10-11)12-5-6-14(19)15(20)9-12/h1-6,9,11H,7-8,10H2,(H2,21,22,24)/t11-/m1/s1
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n/an/an/an/a 8n/an/a7.225



GSK



Assay Description
One day before the assay was performed, human TRPV1 expressed in 1321N1 astrocytoma cells were plated onto 96-well assay plates and grown until 2.5 h...


Bioorg Med Chem Lett 16: 3287-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.030
BindingDB Entry DOI: 10.7270/Q2125QX9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50196618
PNG
(3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-propionic ac...)
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)cc(I)c1O
Show InChI InChI=1S/C38H43IO9/c1-22(2)37-17-24(4)38(47-20-25-9-7-6-8-10-25)28(35(37)46-21-48-37)14-27(18-36(43)31(38)13-23(3)34(36)42)19-45-32(40)12-11-26-15-29(39)33(41)30(16-26)44-5/h6-10,13-16,24,28,31,35,41,43H,1,11-12,17-21H2,2-5H3/t24-,28+,31-,35-,36-,37-,38-/m1/s1
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n/an/an/an/a 8.60n/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)


Article DOI: 10.1016/j.bmcl.2006.09.077
BindingDB Entry DOI: 10.7270/Q2FN170G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20448
PNG
(3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]me...)
Show SMILES FC(F)(F)c1ccc(CNC(=O)Nc2cccc3[nH]ncc23)cc1
Show InChI InChI=1S/C16H13F3N4O/c17-16(18,19)11-6-4-10(5-7-11)8-20-15(24)22-13-2-1-3-14-12(13)9-21-23-14/h1-7,9H,8H2,(H,21,23)(H2,20,22,24)
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n/an/an/an/a 9n/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 14: 4740-9 (2006)


Article DOI: 10.1016/j.bmc.2006.03.027
BindingDB Entry DOI: 10.7270/Q2DB8035
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20340
PNG
(1-isoquinolin-5-yl-3-{[4-(4-methylpiperidin-1-yl)p...)
Show SMILES CC1CCN(CC1)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
Show InChI InChI=1S/C23H26N4O/c1-17-10-13-27(14-11-17)20-7-5-18(6-8-20)15-25-23(28)26-22-4-2-3-19-16-24-12-9-21(19)22/h2-9,12,16-17H,10-11,13-15H2,1H3,(H2,25,26,28)
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n/an/an/an/a 9.30n/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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20352
PNG
(3-{[3,5-difluoro-4-(morpholin-4-yl)phenyl]methyl}-...)
Show SMILES Fc1cc(CNC(=O)Nc2cccc3cnccc23)cc(F)c1N1CCOCC1
Show InChI InChI=1S/C21H20F2N4O2/c22-17-10-14(11-18(23)20(17)27-6-8-29-9-7-27)12-25-21(28)26-19-3-1-2-15-13-24-5-4-16(15)19/h1-5,10-11,13H,6-9,12H2,(H2,25,26,28)
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n/an/an/an/a 9.30n/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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50196614
PNG
(4-hydroxy-3-methoxy-benzoic acid (3aR,3bR,4R,5aR,8...)
Show SMILES COc1cc(ccc1O)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/C36H40O9/c1-21(2)35-16-23(4)36(44-19-24-9-7-6-8-10-24)27(32(35)43-20-45-35)14-25(17-34(40)30(36)13-22(3)31(34)38)18-42-33(39)26-11-12-28(37)29(15-26)41-5/h6-15,23,27,30,32,37,40H,1,16-20H2,2-5H3/t23-,27+,30-,32-,34-,35-,36-/m1/s1
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n/an/an/an/a 9.40n/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)


Article DOI: 10.1016/j.bmcl.2006.09.077
BindingDB Entry DOI: 10.7270/Q2FN170G
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444875
PNG
(CHEMBL3099609)
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-/m0/s1
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n/an/an/an/a 9.60n/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)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20346
PNG
(1-(3-aminoisoquinolin-5-yl)-3-{[4-(azepan-1-yl)phe...)
Show SMILES Nc1cc2c(NC(=O)NCc3ccc(cc3)N3CCCCCC3)cccc2cn1
Show InChI InChI=1S/C23H27N5O/c24-22-14-20-18(16-25-22)6-5-7-21(20)27-23(29)26-15-17-8-10-19(11-9-17)28-12-3-1-2-4-13-28/h5-11,14,16H,1-4,12-13,15H2,(H2,24,25)(H2,26,27,29)
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n/an/an/an/a 9.80n/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)


Article DOI: 10.1021/jm070276i
BindingDB Entry DOI: 10.7270/Q2SJ1HWH
More data for this
Ligand-Target Pair
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