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Compile Data Set for Download or QSAR

Found 273 hits with Last Name = 'lundberg' and Initial = 'dj'   
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))
BDBM50052442
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)
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)ccc1O |r,t:10,35,THB:23:15:26.25.24:12|
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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0.130n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsacin


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50184391
PNG
((R,Z)-2-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylh...)
Show SMILES CC(C)CC(C\C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-/t22-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310131
PNG
((2-hydroxy-4-(3-isobutyl-5-methylhexylidene)-5-oxo...)
Show SMILES CC(C)CC(C\C=C1\CC(O)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C21H36O5/c1-14(2)10-16(11-15(3)4)8-9-17-12-21(24,26-18(17)22)13-25-19(23)20(5,6)7/h9,14-16,24H,8,10-13H2,1-7H3/b17-9-
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2.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50107112
PNG
((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-
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2.90n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310107
PNG
((E)-(2-(hydroxymethyl)-4-(8-(nonyloxy)octylidene)-...)
Show SMILES CCCCCCCCCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H50O6/c1-5-6-7-8-10-13-16-19-32-20-17-14-11-9-12-15-18-24-21-28(22-29,34-25(24)30)23-33-26(31)27(2,3)4/h18,29H,5-17,19-23H2,1-4H3/b24-18+
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3.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
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))
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50184395
PNG
(5-hexanoyloxymethyl-5-hydroxymethyl-3-[(Z)-3-isobu...)
Show SMILES CCCCCC(=O)OCC1(CO)C\C(=C\CC(CC(C)C)CC(C)C)C(=O)O1
Show InChI InChI=1S/C23H40O5/c1-6-7-8-9-21(25)27-16-23(15-24)14-20(22(26)28-23)11-10-19(12-17(2)3)13-18(4)5/h11,17-19,24H,6-10,12-16H2,1-5H3/b20-11-
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3.80n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310104
PNG
((E)-(2-(hydroxymethyl)-4-(16-methoxyhexadecylidene...)
Show SMILES COCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H50O6/c1-27(2,3)26(31)33-23-28(22-29)21-24(25(30)34-28)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-32-4/h19,29H,5-18,20-23H2,1-4H3/b24-19+
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4.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50107118
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C26H46O5/c1-17(2)11-21(12-18(3)4)9-10-22-14-26(15-27,31-25(22)29)16-30-24(28)13-23(19(5)6)20(7)8/h10,17-21,23,27H,9,11-16H2,1-8H3/b22-10+
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4.5n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50107120
PNG
((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+
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4.5n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310105
PNG
((Z)-(2-(hydroxymethyl)-4-(16-methoxyhexadecylidene...)
Show SMILES COCCCCCCCCCCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H50O6/c1-27(2,3)26(31)33-23-28(22-29)21-24(25(30)34-28)19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-32-4/h19,29H,5-18,20-23H2,1-4H3/b24-19-
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5n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50184385
PNG
(5-hydroxymethyl-3-[(Z)-3-isobutyl-5-methylhexylide...)
Show SMILES CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(CC(C)C)CC(C)C)C(=O)O1
Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-23(27)29-18-25(17-26)16-22(24(28)30-25)13-12-21(14-19(2)3)15-20(4)5/h13,19-21,26H,6-12,14-18H2,1-5H3/b22-13-
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5n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50184380
PNG
(5-hydroxymethyl-3-[(E)-3-isobutyl-5-methylhexylide...)
Show SMILES CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1
Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-23(27)29-18-25(17-26)16-22(24(28)30-25)13-12-21(14-19(2)3)15-20(4)5/h13,19-21,26H,6-12,14-18H2,1-5H3/b22-13+
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6n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50184382
PNG
(5-hexanoyloxymethyl-5-hydroxymethyl-3-[(E)-3-isobu...)
Show SMILES CCCCCC(=O)OCC1(CO)C\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1
Show InChI InChI=1S/C23H40O5/c1-6-7-8-9-21(25)27-16-23(15-24)14-20(22(26)28-23)11-10-19(12-17(2)3)13-18(4)5/h11,17-19,24H,6-10,12-16H2,1-5H3/b20-11+
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6.20n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
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))
BDBM50196343
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C28H40N2O4S/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-34-25(32)28(4,5)6)17-30-26(35)29-16-20-10-13-23(31)24(15-20)33-7/h8-13,15,21,31H,14,16-18H2,1-7H3,(H2,29,30,35)
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6.35n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310120
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(16-oxohexadecylide...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCC=O)C(=O)O1
Show InChI InChI=1S/C27H46O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18-19,29H,4-17,20-22H2,1-3H3/b23-18+
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6.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310115
PNG
((E)-(4-(16-hydroxyhexadecylidene)-2-(hydroxymethyl...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCO)C(=O)O1
Show InChI InChI=1S/C27H48O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18,28-29H,4-17,19-22H2,1-3H3/b23-18+
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6.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50184390
PNG
(5-benzoyloxymethyl-5-hydroxymethyl-3-[(Z)-3-isobut...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C
Show InChI InChI=1S/C24H34O5/c1-17(2)12-19(13-18(3)4)10-11-21-14-24(15-25,29-23(21)27)16-28-22(26)20-8-6-5-7-9-20/h5-9,11,17-19,25H,10,12-16H2,1-4H3/b21-11-
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6.70n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310124
PNG
((E)-methyl 16-(5-(hydroxymethyl)-2-oxo-5-(pivaloyl...)
Show SMILES COC(=O)CCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C28H48O7/c1-27(2,3)26(32)34-22-28(21-29)20-23(25(31)35-28)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-24(30)33-4/h18,29H,5-17,19-22H2,1-4H3/b23-18+
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6.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50184388
PNG
(5-hydroxymethyl-3-[(Z)-3-isobutyl-5-methylhexylide...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C28H50O5/c1-19(2)11-23(12-20(3)4)9-10-25-16-28(17-29,33-27(25)31)18-32-26(30)15-24(13-21(5)6)14-22(7)8/h10,19-24,29H,9,11-18H2,1-8H3/b25-10-
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6.90n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50107116
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C
Show InChI InChI=1S/C26H46O5/c1-17(2)11-21(12-18(3)4)9-10-22-14-26(15-27,31-25(22)29)16-30-24(28)13-23(19(5)6)20(7)8/h10,17-21,23,27H,9,11-16H2,1-8H3/b22-10-
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6.90n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310101
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-tetradecylidenetetr...)
Show SMILES CCCCCCCCCCCCC\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C25H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-25(19-26,30-22(21)27)20-29-23(28)24(2,3)4/h17,26H,5-16,18-20H2,1-4H3/b21-17-
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7.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310112
PNG
((E)-(2-(hydroxymethyl)-4-(4-(nonyloxy)butylidene)-...)
Show SMILES CCCCCCCCCOCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-5-6-7-8-9-10-12-15-28-16-13-11-14-20-17-24(18-25,30-21(20)26)19-29-22(27)23(2,3)4/h14,25H,5-13,15-19H2,1-4H3/b20-14+
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7.40n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310110
PNG
((E)-(2-(hydroxymethyl)-4-(8-(isopentyloxy)octylide...)
Show SMILES CC(C)CCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-19(2)13-15-28-14-11-9-7-6-8-10-12-20-16-24(17-25,30-21(20)26)18-29-22(27)23(3,4)5/h12,19,25H,6-11,13-18H2,1-5H3/b20-12+
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7.70n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310100
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-tetradecylidenetetr...)
Show SMILES CCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C25H44O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-25(19-26,30-22(21)27)20-29-23(28)24(2,3)4/h17,26H,5-16,18-20H2,1-4H3/b21-17+
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7.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20293
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36FN3O4S2/c1-17-7-8-19(11-18(17)2)12-21(16-34-24(31)26(3,4)5)15-29-25(35)28-14-20-9-10-23(22(27)13-20)30-36(6,32)33/h7-11,13,21,30H,12,14-16H2,1-6H3,(H2,28,29,35)
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7.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310125
PNG
((E)-(4-(16-(formyloxy)hexadecylidene)-2-(hydroxyme...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCOC=O)C(=O)O1
Show InChI InChI=1S/C28H48O7/c1-27(2,3)26(32)34-22-28(21-29)20-24(25(31)35-28)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-33-23-30/h18,23,29H,4-17,19-22H2,1-3H3/b24-18+
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8n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310106
PNG
((E)-(2-(hydroxymethyl)-5-oxo-4-(8-(pentyloxy)octyl...)
Show SMILES CCCCCOCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-5-6-12-15-28-16-13-10-8-7-9-11-14-20-17-24(18-25,30-21(20)26)19-29-22(27)23(2,3)4/h14,25H,5-13,15-19H2,1-4H3/b20-14+
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8.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310116
PNG
((Z)-(4-(16-hydroxyhexadecylidene)-2-(hydroxymethyl...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\CCCCCCCCCCCCCCCO)C(=O)O1
Show InChI InChI=1S/C27H48O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18,28-29H,4-17,19-22H2,1-3H3/b23-18-
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8.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310103
PNG
((E)-(2-(hydroxymethyl)-4-(12-methoxydodecylidene)-...)
Show SMILES COCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C24H42O6/c1-23(2,3)22(27)29-19-24(18-25)17-20(21(26)30-24)15-13-11-9-7-5-6-8-10-12-14-16-28-4/h15,25H,5-14,16-19H2,1-4H3/b20-15+
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8.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310130
PNG
((E)-(4-(16-acetamidohexadecylidene)-2-(hydroxymeth...)
Show SMILES CC(=O)NCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C29H51NO6/c1-24(32)30-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-25-21-29(22-31,36-26(25)33)23-35-27(34)28(2,3)4/h19,31H,5-18,20-23H2,1-4H3,(H,30,32)/b25-19+
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8.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310126
PNG
((E)-(4-(16-acetoxyhexadecylidene)-2-(hydroxymethyl...)
Show SMILES CC(=O)OCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C29H50O7/c1-24(31)34-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-25-21-29(22-30,36-26(25)32)23-35-27(33)28(2,3)4/h19,30H,5-18,20-23H2,1-4H3/b25-19+
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9.30n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310111
PNG
((E)-(4-(8-(cyclopentyloxy)octylidene)-2-(hydroxyme...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCOC2CCCC2)C(=O)O1
Show InChI InChI=1S/C24H40O6/c1-23(2,3)22(27)29-18-24(17-25)16-19(21(26)30-24)12-8-6-4-5-7-11-15-28-20-13-9-10-14-20/h12,20,25H,4-11,13-18H2,1-3H3/b19-12+
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10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310127
PNG
((E)-16-(5-(hydroxymethyl)-2-oxo-5-(pivaloyloxymeth...)
Show SMILES CC(C)(C)C(=O)OCCCCCCCCCCCCCCC\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O
Show InChI InChI=1S/C32H56O7/c1-30(2,3)28(35)37-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26-23-32(24-33,39-27(26)34)25-38-29(36)31(4,5)6/h21,33H,7-20,22-25H2,1-6H3/b26-21+
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11n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310121
PNG
((Z)-(2-(hydroxymethyl)-5-oxo-4-(16-oxohexadecylide...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\CCCCCCCCCCCCCCC=O)C(=O)O1
Show InChI InChI=1S/C27H46O6/c1-26(2,3)25(31)32-22-27(21-29)20-23(24(30)33-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-28/h18-19,29H,4-17,20-22H2,1-3H3/b23-18-
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11n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
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))
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310114
PNG
((E)-(4-(12-hydroxydodecylidene)-2-(hydroxymethyl)-...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCO)C(=O)O1
Show InChI InChI=1S/C23H40O6/c1-22(2,3)21(27)28-18-23(17-25)16-19(20(26)29-23)14-12-10-8-6-4-5-7-9-11-13-15-24/h14,24-25H,4-13,15-18H2,1-3H3/b19-14+
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15n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50184383
PNG
(5-benzoyloxymethyl-5-hydroxymethyl-3-[(E)-3-isobut...)
Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C
Show InChI InChI=1S/C24H34O5/c1-17(2)12-19(13-18(3)4)10-11-21-14-24(15-25,29-23(21)27)16-28-22(26)20-8-6-5-7-9-20/h5-9,11,17-19,25H,10,12-16H2,1-4H3/b21-11+
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16n/an/an/an/an/an/an/an/a



Research Institute of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine


J Med Chem 49: 2028-36 (2006)


Article DOI: 10.1021/jm0509391
BindingDB Entry DOI: 10.7270/Q27D2TQ1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50310128
PNG
((E)-(4-(16-azidohexadecylidene)-2-(hydroxymethyl)-...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/CCCCCCCCCCCCCCCN=[N+]=[N-])C(=O)O1
Show InChI InChI=1S/C27H47N3O5/c1-26(2,3)25(33)34-22-27(21-31)20-23(24(32)35-27)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-29-30-28/h18,31H,4-17,19-22H2,1-3H3/b23-18+
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16n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [20-3H]phorbol 12,13-dibutyrate from recombinant PKCalpha


Bioorg Med Chem Lett 20: 1008-12 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.058
BindingDB Entry DOI: 10.7270/Q29C6XJT
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
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