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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50043392   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vanilloid receptor


(Rattus norvegicus (rat))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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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0.580n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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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1.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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 |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
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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1.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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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1.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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))
BDBM50440397
PNG
(CHEMBL2425549)
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(Br)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37BrO10/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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1.60n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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))
BDBM50440398
PNG
(CHEMBL2425548)
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(Cl)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37ClO10/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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1.60n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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))
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 |r,t:10,35,TLB:16:15:12:25.26.24,THB:23:15:12:25.26.24|
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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1.70n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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))
BDBM50440395
PNG
(CHEMBL2425546)
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(Br)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38BrNO9/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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1.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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))
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 |r,t:10,35,TLB:16:15:12:25.26.24,THB:23:15:12:25.26.24|
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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2.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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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2.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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))
BDBM50440396
PNG
(CHEMBL2425545)
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(Cl)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38ClNO9/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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2.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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))
BDBM50440395
PNG
(CHEMBL2425546)
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(Br)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38BrNO9/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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2.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50440394
PNG
(CHEMBL2425543)
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)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38INO9/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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2.70n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50440394
PNG
(CHEMBL2425543)
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)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38INO9/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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3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells


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))
BDBM50440396
PNG
(CHEMBL2425545)
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(Cl)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38ClNO9/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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4.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50440397
PNG
(CHEMBL2425549)
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(Br)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37BrO10/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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5.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50305278
PNG
(CHEMBL595069 | iodoresiniferatoxin)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(I)c1O |r,t:10,35,TLB:16:15:12:25.26.24,THB:23:15:12:25.26.24|
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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5.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50305278
PNG
(CHEMBL595069 | iodoresiniferatoxin)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(I)c1O |r,t:10,35,TLB:16:15:12:25.26.24,THB:23:15:12:25.26.24|
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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12n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
BDBM50440398
PNG
(CHEMBL2425548)
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(Cl)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37ClO10/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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21n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50440397
PNG
(CHEMBL2425549)
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(Br)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37BrO10/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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26n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Partial antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50440397
PNG
(CHEMBL2425549)
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(Br)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37BrO10/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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33n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
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 |r,t:10,35,TLB:16:15:12:25.26.24,THB:23:15:12:25.26.24|
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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49n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
BDBM50440398
PNG
(CHEMBL2425548)
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(Cl)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37ClO10/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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50n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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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82n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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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138n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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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140n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
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 |r,t:10,35,TLB:16:15:12:25.26.24,THB:23:15:12:25.26.24|
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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189n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50440395
PNG
(CHEMBL2425546)
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(Br)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38BrNO9/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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212n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
BDBM50440396
PNG
(CHEMBL2425545)
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(Cl)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38ClNO9/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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330n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
BDBM50440398
PNG
(CHEMBL2425548)
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(Cl)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37ClO10/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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451n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50440397
PNG
(CHEMBL2425549)
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(Br)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37BrO10/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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512n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50440395
PNG
(CHEMBL2425546)
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(Br)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38BrNO9/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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666n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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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830n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
BDBM50440394
PNG
(CHEMBL2425543)
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)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38INO9/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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990n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells


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))
BDBM50440396
PNG
(CHEMBL2425545)
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(Cl)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38ClNO9/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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1.40E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
BDBM50440394
PNG
(CHEMBL2425543)
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)c1N |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H38INO9/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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1.80E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-stimulated 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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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 17n/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))
BDBM50440398
PNG
(CHEMBL2425548)
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(Cl)c1O |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
Show InChI InChI=1S/C36H37ClO10/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 183n/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
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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 16n/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 |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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 18n/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
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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))
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 |r,t:10,35,TLB:16:15:12:24.25.26,THB:23:15:12:24.25.26|
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