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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C alpha type' and Ligand = 'BDBM50097751'   
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))
BDBM50097751
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-27)29-25(28)24(19(2)3)26(23)4/h14-16,19,22,24,27H,5-13,17-18H2,1-4H3/t22-,24-/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C Alpha-C1B domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50097751
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-27)29-25(28)24(19(2)3)26(23)4/h14-16,19,22,24,27H,5-13,17-18H2,1-4H3/t22-,24-/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Binding affinity for protein kinase C epsilon-C1A domain


Bioorg Med Chem Lett 13: 3015-9 (2003)


BindingDB Entry DOI: 10.7270/Q2XS5TRM
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50097751
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-27)29-25(28)24(19(2)3)26(23)4/h14-16,19,22,24,27H,5-13,17-18H2,1-4H3/t22-,24-/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C alpha C1a domain


Bioorg Med Chem Lett 11: 723-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50097751
PNG
((2S,5S)-8-Decyl-5-hydroxymethyl-2-isopropyl-1-meth...)
Show SMILES CCCCCCCCCCc1ccc2N(C)[C@@H](C(C)C)C(=O)O[C@H](CO)Cc2c1
Show InChI InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-27)29-25(28)24(19(2)3)26(23)4/h14-16,19,22,24,27H,5-13,17-18H2,1-4H3/t22-,24-/m0/s1
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of [3H]phorbol-12,13-dibutyrate (PDBu) binding to Protein kinase C epsilon C1a domain


Bioorg Med Chem Lett 11: 723-8 (2001)


BindingDB Entry DOI: 10.7270/Q2QV3KRS
More data for this
Ligand-Target Pair