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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C alpha type' and Ligand = 'BDBM50085904'   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
PDB
MMDB

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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of [20-3H] phorbol 12,13-dibutyrate from protein kinase C alpha


Bioorg Med Chem Lett 10: 653-5 (2000)

More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
PDB
MMDB

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2.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Affinity for protein kinase-C alpha (PK-C alpha)


J Med Chem 43: 3209-17 (2000)

More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
PDB
MMDB

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Article
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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 [20-3H]phorbol-12,13-dibutyrate (PDBu) from recombinant Protein kinase C alpha


J Med Chem 46: 1571-9 (2003)


Article DOI: 10.1021/jm020476o
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
PDB
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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]-PDBU ligand from recombinant protein kinase C (baculovirus)


J Med Chem 44: 4309-12 (2001)

More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50085904
PNG
(3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...)
Show SMILES CC(C)C(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)C(C)C
Show InChI InChI=1S/C24H42O5/c1-15(2)20(16(3)4)10-9-19-12-24(13-25,29-23(19)27)14-28-22(26)11-21(17(5)6)18(7)8/h9,15-18,20-21,25H,10-14H2,1-8H3/b19-9-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
2.90n/an/an/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding Affinity against protein kinase C alpha


J Med Chem 43: 921-44 (2000)

More data for this
Ligand-Target Pair