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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 384.5
BDBM50216858

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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 delta type


(Mus musculus)
BDBM50216858
PNG
((Z)-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylhexyl...)
Show SMILES CC(C)CC(C\C=C1\OC(CO)(COC(=O)CC(C)C)OC1=O)CC(C)C |w:9.11|
Show InChI InChI=1S/C21H36O6/c1-14(2)9-17(10-15(3)4)7-8-18-20(24)27-21(12-22,26-18)13-25-19(23)11-16(5)6/h8,14-17,22H,7,9-13H2,1-6H3/b18-8+
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PC cid
PC sid
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Article
PubMed
2.82n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from mouse wild type C1b domain of PKCdelta expressed in Escherichia coli


J Med Chem 50: 3465-81 (2007)


Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(MOUSE)
BDBM50216858
PNG
((Z)-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylhexyl...)
Show SMILES CC(C)CC(C\C=C1\OC(CO)(COC(=O)CC(C)C)OC1=O)CC(C)C |w:9.11|
Show InChI InChI=1S/C21H36O6/c1-14(2)9-17(10-15(3)4)7-8-18-20(24)27-21(12-22,26-18)13-25-19(23)11-16(5)6/h8,14-17,22H,7,9-13H2,1-6H3/b18-8+
PDB
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PC cid
PC sid
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Article
PubMed
19.8n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from mouse recombinant PKCalpha expressed in Escherichia coli


J Med Chem 50: 3465-81 (2007)


Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Mus musculus)
BDBM50216858
PNG
((Z)-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylhexyl...)
Show SMILES CC(C)CC(C\C=C1\OC(CO)(COC(=O)CC(C)C)OC1=O)CC(C)C |w:9.11|
Show InChI InChI=1S/C21H36O6/c1-14(2)9-17(10-15(3)4)7-8-18-20(24)27-21(12-22,26-18)13-25-19(23)11-16(5)6/h8,14-17,22H,7,9-13H2,1-6H3/b18-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.46E+3n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from mouse PKCdelta C1b Q27E mutant expressed in Escherichia coli


J Med Chem 50: 3465-81 (2007)


Article DOI: 10.1021/jm0702579
BindingDB Entry DOI: 10.7270/Q2RF5TQ5
More data for this
Ligand-Target Pair