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Compile Data Set for Download or QSAR

Found 1466 hits with Last Name = 'kim' and Initial = 'yh'   
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)
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
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244866
PNG
(CHEMBL511820 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-6-4-3-5-18(19)21(27)30-14-22(13-25)12-16(20(26)31-22)11-15-7-9-17(10-8-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b16-11+
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1.80n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244416
PNG
(CHEMBL527875 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
Show InChI InChI=1S/C21H26BrFO5/c1-3-5-6-15(4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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2.07n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50245091
PNG
(CHEMBL519398 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES OCC1(COC(=O)c2ccc(cc2)[N+]([O-])=O)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C20H16N2O9/c23-11-20(12-30-18(24)14-3-7-17(8-4-14)22(28)29)10-15(19(25)31-20)9-13-1-5-16(6-2-13)21(26)27/h1-9,23H,10-12H2/b15-9+
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2.22n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244865
PNG
(CHEMBL471153 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-5-3-4-16(11-19)20(26)30-14-22(13-25)12-17(21(27)31-22)10-15-6-8-18(9-7-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-10+
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2.30n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244693
PNG
(CHEMBL516638 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Cl)c2)C(=O)O1
Show InChI InChI=1S/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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2.45n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244961
PNG
(CHEMBL472520 | rac-(E/Z)-(4-heptylidene-2-(hydroxy...)
Show SMILES CCCCCC\C=C1\CC(CO)(COC(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C)OC1=O
Show InChI InChI=1S/C29H44O5/c1-8-9-10-11-12-13-22-16-29(17-30,34-27(22)31)18-33-28(32)26-24(20(4)5)14-23(19(2)3)15-25(26)21(6)7/h13-15,19-21,30H,8-12,16-18H2,1-7H3/b22-13-
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2.5n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244413
PNG
(CHEMBL488498 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
Show InChI InChI=1S/C21H26BrFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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2.66n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
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


(MOUSE)
BDBM50244414
PNG
(CHEMBL488500 | rac-(E)-{4-[(4-Chlorophenyl)methyle...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1
Show InChI InChI=1S/C21H27ClO5/c1-3-5-6-16(4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+
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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244648
PNG
(CHEMBL453598 | rac-(E)-(2-(Hydroxymethyl)-5-oxo-4-...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)C(F)(F)F)C(=O)O1
Show InChI InChI=1S/C22H27F3O5/c1-3-5-16(6-4-2)19(27)29-14-21(13-26)12-17(20(28)30-21)11-15-7-9-18(10-8-15)22(23,24)25/h7-11,16,26H,3-6,12-14H2,1-2H3/b17-11+
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2.96n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50245049
PNG
(CHEMBL488706 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-ni...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C21H27NO7/c1-3-5-6-16(4-2)19(24)28-14-21(13-23)12-17(20(25)29-21)11-15-7-9-18(10-8-15)22(26)27/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+
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3.10n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244740
PNG
(CHEMBL461372 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1
Show InChI InChI=1S/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-17(22)18(23)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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3.38n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
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))
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
Protein kinase C


(MOUSE)
BDBM50244908
PNG
(CHEMBL511301 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3c(C)cc(C)cc3C)OC2=O)cc1
Show InChI InChI=1S/C24H26O6/c1-15-9-16(2)21(17(3)10-15)23(27)29-14-24(13-25)12-19(22(26)30-24)11-18-5-7-20(28-4)8-6-18/h5-11,25H,12-14H2,1-4H3/b19-11+
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3.70n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
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
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244482
PNG
((4-(4-nitrobenzylidene)-2-(hydroxymethyl)-5-oxo-te...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-9-5-16(6-10-18)20(26)30-14-22(13-25)12-17(21(27)31-22)11-15-3-7-19(8-4-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-11+
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3.80n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244915
PNG
(CHEMBL472002 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...)
Show SMILES CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-9-4-3-8-18(19)21(27)30-14-22(13-25)12-16(20(26)31-22)10-15-6-5-7-17(11-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b16-10+
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3.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
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))
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
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244643
PNG
(CHEMBL452307 | rac-(E)-(4-{[4-(Dimethylamino)pheny...)
Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1
Show InChI InChI=1S/C24H28N2O5/c1-25(2)20-9-5-17(6-10-20)13-19-14-24(15-27,31-23(19)29)16-30-22(28)18-7-11-21(12-8-18)26(3)4/h5-13,27H,14-16H2,1-4H3/b19-13+
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4.68n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244863
PNG
(CHEMBL472362 | rac-(E)-{4-[(4-Chloro-3-fluoropheny...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1
Show InChI InChI=1S/C21H26ClFO5/c1-3-5-6-15(4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-17(22)18(23)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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4.89n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
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
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244914
PNG
(CHEMBL472001 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...)
Show SMILES CN(C)c1cccc(c1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-7-4-6-16(11-18)20(26)30-14-22(13-25)12-17(21(27)31-22)9-15-5-3-8-19(10-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-9+
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5.30n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244690
PNG
(CHEMBL358095 | rac-(E)-{4-[(4-Fluorophenyl)methyle...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)cc2)C(=O)O1
Show InChI InChI=1S/C21H27FO5/c1-3-5-16(6-4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+
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5.53n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194976
PNG
((S)-2-((6-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@]2(CCCO2)C(O)=O)cn1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-16-19(25-21(30-16)18-6-3-2-4-7-18)10-13-28-20-9-8-17(15-24-20)14-23(22(26)27)11-5-12-29-23/h2-4,6-9,15H,5,10-14H2,1H3,(H,26,27)/t23-/m0/s1
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6n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
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


(MOUSE)
BDBM50244416
PNG
(CHEMBL527875 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
Show InChI InChI=1S/C21H26BrFO5/c1-3-5-6-15(4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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6.10n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
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))
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))
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))
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))
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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50194957
PNG
(2-((6-(2-(2-(3-methoxyphenyl)-5-methyloxazol-4-yl)...)
Show SMILES COc1cccc(c1)-c1nc(CCOc2ccc(CC3(CCCO3)C(O)=O)cn2)c(C)o1
Show InChI InChI=1S/C24H26N2O6/c1-16-20(26-22(32-16)18-5-3-6-19(13-18)29-2)9-12-30-21-8-7-17(15-25-21)14-24(23(27)28)10-4-11-31-24/h3,5-8,13,15H,4,9-12,14H2,1-2H3,(H,27,28)
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7n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay


Bioorg Med Chem Lett 16: 6120-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.110
BindingDB Entry DOI: 10.7270/Q20Z72XV
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


(MOUSE)
BDBM50244554
PNG
(CHEMBL508402 | rac-(E)-{4-[(4-Chloro-3-fluoropheny...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)c(F)c2)C(=O)O1
Show InChI InChI=1S/C18H20ClFO5/c1-17(2,3)16(23)24-10-18(9-21)8-12(15(22)25-18)6-11-4-5-13(19)14(20)7-11/h4-7,21H,8-10H2,1-3H3/b12-6+
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7.90n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244867
PNG
(CHEMBL472171 | rac-(E)-{2-(Hydroxymethyl)-4-[(3-ni...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2cccc(c2)[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)18-8-6-16(7-9-18)20(26)30-14-22(13-25)12-17(21(27)31-22)10-15-4-3-5-19(11-15)24(28)29/h3-11,25H,12-14H2,1-2H3/b17-10+
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8n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244909
PNG
(CHEMBL471137 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...)
Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C)OC2=O)cc1
Show InChI InChI=1S/C30H38O6/c1-18(2)22-13-25(19(3)4)27(26(14-22)20(5)6)29(33)35-17-30(16-31)15-23(28(32)36-30)12-21-8-10-24(34-7)11-9-21/h8-14,18-20,31H,15-17H2,1-7H3/b23-12+
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8n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244413
PNG
(CHEMBL488498 | rac-(E)-{4-[(3-Bromo-4-fluorophenyl...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Br)c2)C(=O)O1
Show InChI InChI=1S/C21H26BrFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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8.10n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244861
PNG
(CHEMBL512019 | rac-(E/Z)-(4-(4-bromobenzylidene)-2...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(Br)cc2)C(=O)O1
Show InChI InChI=1S/C21H27BrO5/c1-3-5-6-16(4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11-
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8.5n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
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


(MOUSE)
BDBM50244693
PNG
(CHEMBL516638 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Cl)c2)C(=O)O1
Show InChI InChI=1S/C21H26ClFO5/c1-3-5-15(6-4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-18(23)17(22)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9+
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9.30n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
RAS guanyl releasing protein 3


(Homo sapiens (Human))
BDBM50244971
PNG
(CHEMBL471317 | rac-(E)-{2-(Hydroxymethyl)-4-[(2-ni...)
Show SMILES CN(C)c1ccccc1C(=O)OCC1(CO)C\C(=C/c2ccccc2[N+]([O-])=O)C(=O)O1
Show InChI InChI=1S/C22H22N2O7/c1-23(2)19-10-6-4-8-17(19)21(27)30-14-22(13-25)12-16(20(26)31-22)11-15-7-3-5-9-18(15)24(28)29/h3-11,25H,12-14H2,1-2H3/b16-11+
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9.40n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Binding affinity to RasGRP3 (unknown origin)


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244738
PNG
(CHEMBL461936 | rac-(E/Z)-(4-(3-(trifluoromethyl)be...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2cccc(c2)C(F)(F)F)C(=O)O1
Show InChI InChI=1S/C22H27F3O5/c1-3-5-8-16(4-2)19(27)29-14-21(13-26)12-17(20(28)30-21)10-15-7-6-9-18(11-15)22(23,24)25/h6-7,9-11,16,26H,3-5,8,12-14H2,1-2H3/b17-10-
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9.40n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244415
PNG
(CHEMBL506390 | rac-(E/Z)-(4-(4-chloro-3-fluorobenz...)
Show SMILES CCCCC(CC)C(=O)OCC1(CO)C\C(=C\c2ccc(Cl)c(F)c2)C(=O)O1
Show InChI InChI=1S/C21H26ClFO5/c1-3-5-6-15(4-2)19(25)27-13-21(12-24)11-16(20(26)28-21)9-14-7-8-17(22)18(23)10-14/h7-10,15,24H,3-6,11-13H2,1-2H3/b16-9-
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10.1n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244692
PNG
(CHEMBL461127 | rac-(E/Z)-(4-(4-bromobenzylidene)-2...)
Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C\c2ccc(Br)cc2)C(=O)O1
Show InChI InChI=1S/C21H27BrO5/c1-3-5-16(6-4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11-
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10.7n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
Protein kinase C


(MOUSE)
BDBM50244553
PNG
(CHEMBL451788 | rac-(E)-{4-[(3-Chloro-4-fluoropheny...)
Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(F)c(Cl)c2)C(=O)O1
Show InChI InChI=1S/C18H20ClFO5/c1-17(2,3)16(23)24-10-18(9-21)8-12(15(22)25-18)6-11-4-5-14(20)13(19)7-11/h4-7,21H,8-10H2,1-3H3/b12-6+
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10.9n/an/an/an/an/an/an/an/a



National Cancer Institute at Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu form mouse PKCalpha by scintillation counting


J Med Chem 51: 5198-220 (2008)


Article DOI: 10.1021/jm8001907
BindingDB Entry DOI: 10.7270/Q2G44Q4B
More data for this
Ligand-Target Pair
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