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Compile Data Set for Download or QSAR

Found 340 hits with Last Name = 'morgan' and Initial = 'ma'   
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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0.0426n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM50247744
PNG
(CHEMBL504725 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,37,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-27(32(34)42-35(43-34,44-36)19-24-10-6-5-7-11-24)15-25(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-26-12-8-9-13-28(26)37/h5-15,23,27,29,32,40H,1,16-20H2,2-4H3/t23-,27+,29-,32-,33-,34+,35?,36-/m1/s1
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0.0730n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM50247741
PNG
(CHEMBL503101 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1NS(C)(=O)=O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
Show InChI InChI=1S/C38H43NO10S/c1-22(2)36-18-24(4)38-28(34(36)47-37(48-36,49-38)20-25-10-8-7-9-11-25)15-27(19-35(42)31(38)14-23(3)33(35)41)21-46-32(40)17-26-12-13-29(30(16-26)45-5)39-50(6,43)44/h7-16,24,28,31,34,39,42H,1,17-21H2,2-6H3/t24-,28+,31-,34-,35-,36+,37?,38-/m1/s1
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0.228n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM50247749
PNG
(CHEMBL510583 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cc(F)ccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-27(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-24(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)15-25-14-26(37)10-11-28(25)38/h5-14,22,27,29,32,41H,1,15-19H2,2-4H3/t22-,27+,29-,32-,33-,34+,35?,36-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50385670
PNG
(CHEMBL2042399)
Show SMILES C[C@H](C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H27FN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)/t14-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr b...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20286
PNG
(5-I-RTX | 5-iodoresiniferatoxin | [(1R,2R,6R,10S,1...)
Show SMILES [H][C@]12OC3(Cc4ccccc4)O[C@]1(C[C@@H](C)[C@]1(O3)[C@]3([H])C=C(C)C(=O)[C@@]3(O)CC(COC(=O)Cc3cc(I)c(O)c(OC)c3)=C[C@@]21[H])C(C)=C |c:48,t:23,TLB:11:3:12.14.13:45,THB:4:3:12.14.13:45|
Show InChI InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36?,37-/m1/s1
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0.610 -54.7n/an/a 12.2n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247742
PNG
(CHEMBL509154 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,42,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C37H40FNO9S/c1-21(2)35-17-23(4)37-27(33(35)46-36(47-35,48-37)19-24-9-7-6-8-10-24)14-26(18-34(42)30(37)13-22(3)32(34)41)20-45-31(40)16-25-11-12-29(28(38)15-25)39-49(5,43)44/h6-15,23,27,30,33,39,42H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35+,36?,37-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM50247748
PNG
(CHEMBL510228 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)cc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-27(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-24(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)14-25-10-11-26(37)15-28(25)38/h5-13,15,22,27,29,32,41H,1,14,16-19H2,2-4H3/t22-,27+,29-,32-,33-,34+,35?,36-/m1/s1
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0.890n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM50247751
PNG
(CHEMBL449201 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)c(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-25(17-33(41)29(36)12-21(3)31(33)40)19-42-30(39)15-24-10-11-27(37)28(38)14-24/h5-14,22,26,29,32,41H,1,15-19H2,2-4H3/t22-,26+,29-,32-,33-,34+,35?,36-/m1/s1
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0.980n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM20314
PNG
((2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-c...)
Show SMILES C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r|
Show InChI InChI=1S/C29H41ClN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21+/m0/s1
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1.83 -51.9n/an/a 5.20n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247745
PNG
(CHEMBL455555 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cccc(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,37,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-24-9-6-5-7-10-24)15-26(18-33(40)29(36)13-22(3)31(33)39)20-41-30(38)16-25-11-8-12-27(37)14-25/h5-15,23,28-29,32,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34+,35?,36-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM50247750
PNG
(CHEMBL455155 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4c(F)cccc4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-9-6-5-7-10-23)14-24(17-33(41)29(36)13-21(3)31(33)40)19-42-30(39)15-25-27(37)11-8-12-28(25)38/h5-14,22,26,29,32,41H,1,15-19H2,2-4H3/t22-,26+,29-,32-,33-,34+,35?,36-/m1/s1
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2.69n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM50247746
PNG
(CHEMBL502769 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(F)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,37,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H37FO7/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34+,35?,36-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM20311
PNG
((2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-c...)
Show SMILES C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1 |r|
Show InChI InChI=1S/C29H41ClN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21-/m0/s1
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3.29 -50.4n/an/a 12.1n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20330
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)
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3.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4136-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20330
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C21H29N3O3S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)27-4)24-29(5,25)26/h6-12,24H,13-14H2,1-5H3,(H2,22,23,28)
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3.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247747
PNG
(CHEMBL509331 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cccc(F)c4F)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-26(32(34)43-35(44-34,45-36)18-23-9-6-5-7-10-23)14-24(17-33(41)28(36)13-21(3)31(33)40)19-42-29(39)15-25-11-8-12-27(37)30(25)38/h5-14,22,26,28,32,41H,1,15-19H2,2-4H3/t22-,26+,28-,32-,33-,34+,35?,36-/m1/s1
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3.53n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM20291
PNG
(2-[(4-tert-butylphenyl)methyl]-3-[2-(3-chloro-4-me...)
Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C29H41ClN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)
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3.60 -50.1n/an/a 12.3n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20313
PNG
((2R)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-f...)
Show SMILES C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21+/m0/s1
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4.12 -49.8n/an/a 0.580n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50385670
PNG
(CHEMBL2042399)
Show SMILES C[C@H](C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H27FN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)/t14-/m0/s1
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4.16n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by ...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50385656
PNG
(CHEMBL2042264)
Show SMILES CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H27FN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)
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5.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr b...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20310
PNG
((2S)-2-[(4-tert-butylphenyl)methyl]-3-[(2S)-2-(3-f...)
Show SMILES C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)/t19-,21-/m0/s1
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6.26 -48.7n/an/a 10.9n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247743
PNG
(CHEMBL504206 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4ccc(NS(C)(=O)=O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,41,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C37H41NO9S/c1-22(2)35-18-24(4)37-29(33(35)45-36(46-35,47-37)20-26-9-7-6-8-10-26)16-27(19-34(41)30(37)15-23(3)32(34)40)21-44-31(39)17-25-11-13-28(14-12-25)38-48(5,42)43/h6-16,24,29-30,33,38,41H,1,17-21H2,2-5H3/t24-,29+,30-,33-,34-,35+,36?,37-/m1/s1
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6.81n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


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


(Rattus norvegicus (rat))
BDBM50385658
PNG
(CHEMBL2042266)
Show SMILES CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(Br)c1
Show InChI InChI=1S/C21H27BrN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)
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7.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50385671
PNG
(CHEMBL2042384)
Show SMILES CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1cc(F)c(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H26F2N2O3S/c1-13(15-10-17(22)19(18(23)11-15)25-29(5,27)28)20(26)24-12-14-6-8-16(9-7-14)21(2,3)4/h6-11,13,25H,12H2,1-5H3,(H,24,26)
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7.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by ...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50385656
PNG
(CHEMBL2042264)
Show SMILES CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H27FN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)
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7.60n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by ...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50362800
PNG
(CHEMBL1940382)
Show SMILES [#6]-[#6](-[#6](=O)-[#7]-[#6]\[#6]=[#6](\c1ccc(-[#6])cc1)-c1ccc(-[#6])cc1)-c1ccc(-[#7]S([#6])(=O)=O)c(F)c1
Show InChI InChI=1S/C27H29FN2O3S/c1-18-5-9-21(10-6-18)24(22-11-7-19(2)8-12-22)15-16-29-27(31)20(3)23-13-14-26(25(28)17-23)30-34(4,32)33/h5-15,17,20,30H,16H2,1-4H3,(H,29,31)
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8n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247752
PNG
(CHEMBL462654 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
Show SMILES C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(COC(=O)Cc4cc(F)cc(F)c4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C |r,t:18,38,TLB:6:5:15:3.2.1,THB:4:5:15:3.2.1|
Show InChI InChI=1S/C36H36F2O7/c1-20(2)34-16-22(4)36-28(32(34)43-35(44-34,45-36)18-23-8-6-5-7-9-23)13-25(17-33(41)29(36)10-21(3)31(33)40)19-42-30(39)14-24-11-26(37)15-27(38)12-24/h5-13,15,22,28-29,32,41H,1,14,16-19H2,2-4H3/t22-,28+,29-,32-,33-,34+,35?,36-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50385670
PNG
(CHEMBL2042399)
Show SMILES C[C@H](C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H27FN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)/t14-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor expressed in CHO cells assessed as decrease in pH-induced intracellular 45Ca2+ uptake after 1 hr by fluor...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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9.16n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity for rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4136-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.009
BindingDB Entry DOI: 10.7270/Q23B5ZN0
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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9.16n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity towards rat TRPV1 expressed in CHO cells


Bioorg Med Chem Lett 15: 4143-50 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.006
BindingDB Entry DOI: 10.7270/Q2JH3KQB
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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9.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by ...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20297
PNG
(3-[2-(3-chloro-4-methanesulfonamidophenyl)propanam...)
Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(C)c(C)c1)c1ccc(NS(C)(=O)=O)c(Cl)c1
Show InChI InChI=1S/C27H37ClN2O5S/c1-17-8-9-20(12-18(17)2)13-21(16-35-26(32)27(4,5)6)15-29-25(31)19(3)22-10-11-24(23(28)14-22)30-36(7,33)34/h8-12,14,19,21,30H,13,15-16H2,1-7H3,(H,29,31)
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11.3 -47.2n/an/a 36n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50362810
PNG
(CHEMBL1940207)
Show SMILES CC(C(=O)NCc1ccc(cc1Br)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H26BrFN2O3S/c1-13(14-7-9-19(18(23)10-14)25-29(5,27)28)20(26)24-12-15-6-8-16(11-17(15)22)21(2,3)4/h6-11,13,25H,12H2,1-5H3,(H,24,26)
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12.7n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50385656
PNG
(CHEMBL2042264)
Show SMILES CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H27FN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)
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12.7n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor expressed in CHO cells assessed as decrease in pH-induced intracellular 45Ca2+ uptake after 1 hr by fluor...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20290
PNG
(2-[(4-tert-butylphenyl)methyl]-3-[2-(3-fluoro-4-me...)
Show SMILES CC(C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C29H41FN2O5S/c1-19(22-11-14-25(24(30)16-22)32-38(8,35)36)26(33)31-17-21(18-37-27(34)29(5,6)7)15-20-9-12-23(13-10-20)28(2,3)4/h9-14,16,19,21,32H,15,17-18H2,1-8H3,(H,31,33)
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13.6 -46.7n/an/a 3.24n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50362796
PNG
(CHEMBL1940378)
Show SMILES [#6]-[#6](-[#6](=O)-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(-[#7]S([#6])(=O)=O)c(F)c1
Show InChI InChI=1S/C25H25FN2O3S/c1-18(21-13-14-24(23(26)17-21)28-32(2,30)31)25(29)27-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,17-18,28H,16H2,1-2H3,(H,27,29)
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14.2n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50362814
PNG
(CHEMBL1940203)
Show SMILES CC(C(=O)NCc1ccc(cc1)C1CCC=C1)c1ccc(NS(C)(=O)=O)c(F)c1 |c:16|
Show InChI InChI=1S/C22H25FN2O3S/c1-15(19-11-12-21(20(23)13-19)25-29(2,27)28)22(26)24-14-16-7-9-18(10-8-16)17-5-3-4-6-17/h3,5,7-13,15,17,25H,4,6,14H2,1-2H3,(H,24,26)
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15n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50385670
PNG
(CHEMBL2042399)
Show SMILES C[C@H](C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H27FN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)/t14-/m0/s1
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15.8n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20306
PNG
((2S)-2-benzyl-3-[(2S)-2-(3-fluoro-4-methanesulfona...)
Show SMILES C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C25H33FN2O5S/c1-17(20-11-12-22(21(26)14-20)28-34(5,31)32)23(29)27-15-19(13-18-9-7-6-8-10-18)16-33-24(30)25(2,3)4/h6-12,14,17,19,28H,13,15-16H2,1-5H3,(H,27,29)/t17-,19-/m0/s1
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16.5 -46.2n/an/a 10n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50385655
PNG
(CHEMBL2042263)
Show SMILES CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C21H28N2O3S/c1-15(17-8-12-19(13-9-17)23-27(5,25)26)20(24)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,15,23H,14H2,1-5H3,(H,22,24)
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17.5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by ...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50385667
PNG
(CHEMBL2042396)
Show SMILES CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(C)c1
Show InChI InChI=1S/C22H30N2O3S/c1-15-13-18(9-12-20(15)24-28(6,26)27)16(2)21(25)23-14-17-7-10-19(11-8-17)22(3,4)5/h7-13,16,24H,14H2,1-6H3,(H,23,25)
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18.9n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as decrease in capsaicin-induced intracellular 45Ca2+ uptake after 1 hr by ...


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50385671
PNG
(CHEMBL2042384)
Show SMILES CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1cc(F)c(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C21H26F2N2O3S/c1-13(15-10-17(22)19(18(23)11-15)25-29(5,27)28)20(26)24-12-14-6-8-16(9-7-14)21(2,3)4/h6-11,13,25H,12H2,1-5H3,(H,24,26)
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19.9n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50362813
PNG
(CHEMBL1940204)
Show SMILES CC(C(=O)NCc1ccc(cc1)C1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H27FN2O3S/c1-15(19-11-12-21(20(23)13-19)25-29(2,27)28)22(26)24-14-16-7-9-18(10-8-16)17-5-3-4-6-17/h7-13,15,17,25H,3-6,14H2,1-2H3,(H,24,26)
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20.8n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50362796
PNG
(CHEMBL1940378)
Show SMILES [#6]-[#6](-[#6](=O)-[#7]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(-[#7]S([#6])(=O)=O)c(F)c1
Show InChI InChI=1S/C25H25FN2O3S/c1-18(21-13-14-24(23(26)17-21)28-32(2,30)31)25(29)27-16-15-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,17-18,28H,16H2,1-2H3,(H,27,29)
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21.5n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20287
PNG
(2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)
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22.6 -45.4n/an/a 52n/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50385659
PNG
(CHEMBL2042383)
Show SMILES CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(I)c1
Show InChI InChI=1S/C21H27IN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)
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23.3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50362823
PNG
(CHEMBL1940193)
Show SMILES CC(NC(=O)\C=C\c1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
Show InChI InChI=1S/C22H27FN2O3S/c1-15(17-9-12-20(19(23)14-17)25-29(5,27)28)24-21(26)13-8-16-6-10-18(11-7-16)22(2,3)4/h6-15,25H,1-5H3,(H,24,26)/b13-8+
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23.9n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV1 expressed in CHO cells by 45Ca2+ uptake assay


Bioorg Med Chem 20: 1310-8 (2012)


Article DOI: 10.1016/j.bmc.2011.12.014
BindingDB Entry DOI: 10.7270/Q2ZK5H3M
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20292
PNG
(2-[(4-tert-butylphenyl)methyl]-3-[2-(4-methanesulf...)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCC(COC(=O)C(C)(C)C)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H44N2O6S/c1-20(23-12-15-25(26(17-23)37-8)32-39(9,35)36)27(33)31-18-22(19-38-28(34)30(5,6)7)16-21-10-13-24(14-11-21)29(2,3)4/h10-15,17,20,22,32H,16,18-19H2,1-9H3,(H,31,33)
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24 -45.2n/an/an/an/an/a7.437



Seoul National University



Assay Description
Binding assay mixtures were set up and contained [3H] RTX, various concentrations of competing ligands, and rVR1-transfected CHO cells. Nonspecific b...


J Med Chem 51: 57-67 (2008)


Article DOI: 10.1021/jm701049p
BindingDB Entry DOI: 10.7270/Q2222S1N
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50385670
PNG
(CHEMBL2042399)
Show SMILES C[C@H](C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 |r|
Show InChI InChI=1S/C21H27FN2O3S/c1-14(16-8-11-19(18(22)12-16)24-28(5,26)27)20(25)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H,23,25)/t14-/m0/s1
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24.4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 20: 215-24 (2011)


Article DOI: 10.1016/j.bmc.2011.11.008
BindingDB Entry DOI: 10.7270/Q2MG7QJJ
More data for this
Ligand-Target Pair
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