Found 274 hits with Last Name = 'perry' and Initial = 'na' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244866
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244416
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244416
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244693
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244693
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244961
(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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244961
(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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244413
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244413
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244414
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244414
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310131
((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- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244648
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244648
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50245049
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310107
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244740
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244740
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244908
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244908
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50244482
((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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310104
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244643
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244863
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310105
((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- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244914
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244690
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244690
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310115
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310120
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310124
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310101
((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- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244554
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244909
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310125
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244909
(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+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310106
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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- | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(MOUSE) | BDBM50244861
(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- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50310126
((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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Ras guanyl-releasing protein 3
(Homo sapiens (Human)) | BDBM50244971
(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+ | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
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