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Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'lim' and Initial = 'ks'   
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))
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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0.0430n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


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


(Rattus norvegicus (rat))
BDBM50333930
PNG
(CHEMBL1644419 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
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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0.130n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


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


(Rattus norvegicus (rat))
BDBM50333927
PNG
(CHEMBL1644416 | [(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(Br)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
Show InChI InChI=1S/C37H39BrO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1
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0.170n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


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


(Rattus norvegicus (rat))
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 |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
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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0.260n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


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


(Rattus norvegicus (rat))
BDBM50333928
PNG
(CHEMBL1644417 | [(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(Br)c1OC(C)=O |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
Show InChI InChI=1S/C39H41BrO10/c1-21(2)37-17-23(4)39-28(35(37)48-38(49-37,50-39)19-25-10-8-7-9-11-25)13-27(18-36(44)31(39)12-22(3)34(36)43)20-46-32(42)16-26-14-29(40)33(47-24(5)41)30(15-26)45-6/h7-15,23,28,31,35,44H,1,16-20H2,2-6H3/t23-,28+,31-,35?,36-,37+,38?,39?/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


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


(Rattus norvegicus (rat))
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))
BDBM50333924
PNG
(2-iodo Resiniferatoxin | CHEMBL1644413)
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(I)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:27:26:12:29.14.15,23:24:12:29.14.15,23:15:12:24.25.26|
Show InChI InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1
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0.610n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


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


(Rattus norvegicus (rat))
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 |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
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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0.700n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


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


(Rattus norvegicus (rat))
BDBM50333932
PNG
(CHEMBL1644421 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Cl)c1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
Show InChI InChI=1S/C37H40ClNO8/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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0.850n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


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


(Rattus norvegicus (rat))
BDBM50333926
PNG
(CHEMBL1644415 | [(2R,6R,10S,15S,17R)-13-benzyl-6-h...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc(Cl)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
Show InChI InChI=1S/C37H39ClO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33?,34-,35+,36?,37?/m1/s1
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1.03n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


Article DOI: 10.1016/j.bmcl.2010.11.012
BindingDB Entry DOI: 10.7270/Q2J967BB
More data for this
Ligand-Target Pair
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))
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
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))
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))
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))
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))
BDBM50333933
PNG
(5-bromo-4-amino Resiniferatoxin | CHEMBL1644422)
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(Br)c1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
Show InChI InChI=1S/C37H40BrNO8/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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1.99n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRV1 expressed in CHO cells by competitive binding assay


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


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


(Rattus norvegicus (rat))
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))
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))
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))
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))
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))
BDBM50330657
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-hydroxy-3-iodo-5-me...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(I)c1O
Show InChI InChI=1S/C28H38INO5/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-30-24(31)15-19-13-22(29)25(32)23(14-19)34-7/h8-11,13-14,20,32H,12,15-17H2,1-7H3,(H,30,31)
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2.80n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50333933
PNG
(5-bromo-4-amino Resiniferatoxin | CHEMBL1644422)
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(Br)c1N |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
Show InChI InChI=1S/C37H40BrNO8/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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2.81n/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 response to capsaicin-stimulated 45Ca2+ uptake


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


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


(Rattus norvegicus (rat))
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))
BDBM50330677
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3-bromo-5-met...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Br)c1N
Show InChI InChI=1S/C28H39BrN2O4/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-31-24(32)15-19-13-22(29)25(30)23(14-19)34-7/h8-11,13-14,20H,12,15-17,30H2,1-7H3,(H,31,32)
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3.40n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330680
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3,5-dichlorop...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H36Cl2N2O3/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-31-23(32)14-18-12-21(28)24(30)22(29)13-18/h7-10,12-13,19H,11,14-16,30H2,1-6H3,(H,31,32)
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3.96n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330676
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3-chloro-5-me...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Cl)c1N
Show InChI InChI=1S/C28H39ClN2O4/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-31-24(32)15-19-13-22(29)25(30)23(14-19)34-7/h8-11,13-14,20H,12,15-17,30H2,1-7H3,(H,31,32)
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4.09n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
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))
BDBM50330672
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(3,5-dichloro-4-hydrox...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(O)c(Cl)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H35Cl2NO4/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-30-23(31)14-18-12-21(28)24(32)22(29)13-18/h7-10,12-13,19,32H,11,14-16H2,1-6H3,(H,30,31)
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4.26n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330681
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3,5-dibromoph...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(N)c(Br)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H36Br2N2O3/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-31-23(32)14-18-12-21(28)24(30)22(29)13-18/h7-10,12-13,19H,11,14-16,30H2,1-6H3,(H,31,32)
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4.30n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50333927
PNG
(CHEMBL1644416 | [(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(Br)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:23:24:12:29.14.15,23:15:12:24.25.26,27:26:12:29.14.15|
Show InChI InChI=1S/C37H39BrO9/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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7.20n/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 response to capsaicin-stimulated 45Ca2+ uptake


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


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


(Rattus norvegicus (rat))
BDBM50330656
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(3-bromo-4-hydroxy-5-m...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Br)c1O
Show InChI InChI=1S/C28H38BrNO5/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-30-24(31)15-19-13-22(29)25(32)23(14-19)34-7/h8-11,13-14,20,32H,12,15-17H2,1-7H3,(H,30,31)
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8.77n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330672
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(3,5-dichloro-4-hydrox...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(O)c(Cl)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H35Cl2NO4/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-30-23(31)14-18-12-21(28)24(32)22(29)13-18/h7-10,12-13,19,32H,11,14-16H2,1-6H3,(H,30,31)
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9.30n/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


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330656
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(3-bromo-4-hydroxy-5-m...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Br)c1O
Show InChI InChI=1S/C28H38BrNO5/c1-27(2,3)21-10-8-18(9-11-21)12-20(17-35-26(33)28(4,5)6)16-30-24(31)15-19-13-22(29)25(32)23(14-19)34-7/h8-11,13-14,20,32H,12,15-17H2,1-7H3,(H,30,31)
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9.40n/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


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330680
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3,5-dichlorop...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H36Cl2N2O3/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-31-23(32)14-18-12-21(28)24(30)22(29)13-18/h7-10,12-13,19H,11,14-16,30H2,1-6H3,(H,31,32)
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9.43n/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


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330673
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(3,5-dibromo-4-hydroxy...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(O)c(Br)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H35Br2NO4/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-30-23(31)14-18-12-21(28)24(32)22(29)13-18/h7-10,12-13,19,32H,11,14-16H2,1-6H3,(H,30,31)
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10.7n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330681
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-amino-3,5-dibromoph...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(N)c(Br)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H36Br2N2O3/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-31-23(32)14-18-12-21(28)24(30)22(29)13-18/h7-10,12-13,19H,11,14-16,30H2,1-6H3,(H,31,32)
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11.3n/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


Bioorg Med Chem 18: 8092-105 (2010)


Article DOI: 10.1016/j.bmc.2010.09.001
BindingDB Entry DOI: 10.7270/Q2Q81D98
More data for this
Ligand-Target Pair
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))
BDBM50333924
PNG
(2-iodo Resiniferatoxin | CHEMBL1644413)
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(I)c1O |r,t:10,35,TLB:39:24:12:29.14.15,THB:27:26:12:29.14.15,23:24:12:29.14.15,23:15:12:24.25.26|
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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12.2n/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 response to capsaicin-stimulated 45Ca2+ uptake


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


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


(Rattus norvegicus (rat))
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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13.1n/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


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330660
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-hydroxy-2-iodo-5-me...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)c(I)cc1O
Show InChI InChI=1S/C28H38INO5/c1-27(2,3)21-10-8-18(9-11-21)12-19(17-35-26(33)28(4,5)6)16-30-25(32)14-20-13-24(34-7)23(31)15-22(20)29/h8-11,13,15,19,31H,12,14,16-17H2,1-7H3,(H,30,32)
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13.5n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330662
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-acetoxy-3-bromo-5-m...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(Br)c1OC(C)=O
Show InChI InChI=1S/C30H40BrNO6/c1-19(33)38-27-24(31)14-21(15-25(27)36-8)16-26(34)32-17-22(18-37-28(35)30(5,6)7)13-20-9-11-23(12-10-20)29(2,3)4/h9-12,14-15,22H,13,16-18H2,1-8H3,(H,32,34)
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13.6n/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


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330644
PNG
(CHEMBL1277117 | N-(4-tert-Butyl-benzyl)-2-(3-iodo-...)
Show SMILES COc1cc(CC(=O)NCc2ccc(cc2)C(C)(C)C)cc(I)c1O
Show InChI InChI=1S/C20H24INO3/c1-20(2,3)15-7-5-13(6-8-15)12-22-18(23)11-14-9-16(21)19(24)17(10-14)25-4/h5-10,24H,11-12H2,1-4H3,(H,22,23)
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17.2n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330663
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-acetoxy-3-iodo-5-me...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)cc(I)c1OC(C)=O
Show InChI InChI=1S/C30H40INO6/c1-19(33)38-27-24(31)14-21(15-25(27)36-8)16-26(34)32-17-22(18-37-28(35)30(5,6)7)13-20-9-11-23(12-10-20)29(2,3)4/h9-12,14-15,22H,13,16-18H2,1-8H3,(H,32,34)
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19.1n/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-induced calcium uptake


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330666
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(4-acetoxy-2-iodo-5-me...)
Show SMILES COc1cc(CC(=O)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)c(I)cc1OC(C)=O
Show InChI InChI=1S/C30H40INO6/c1-19(33)38-26-16-24(31)22(14-25(26)36-8)15-27(34)32-17-21(18-37-28(35)30(5,6)7)13-20-9-11-23(12-10-20)29(2,3)4/h9-12,14,16,21H,13,15,17-18H2,1-8H3,(H,32,34)
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19.5n/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


Bioorg Med Chem 18: 8092-105 (2010)


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


(Rattus norvegicus (rat))
BDBM50330673
PNG
(2-(4-tert-Butylbenzyl)-3-[2-(3,5-dibromo-4-hydroxy...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=O)Cc1cc(Br)c(O)c(Br)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C27H35Br2NO4/c1-26(2,3)20-9-7-17(8-10-20)11-19(16-34-25(33)27(4,5)6)15-30-23(31)14-18-12-21(28)24(32)22(29)13-18/h7-10,12-13,19,32H,11,14-16H2,1-6H3,(H,30,31)
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20.2n/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


Bioorg Med Chem 18: 8092-105 (2010)


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