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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50037459   
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


(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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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity for isolated C1b domain of protein kinase C-delta


J Med Chem 47: 4858-64 (2004)


Article DOI: 10.1021/jm049723+
BindingDB Entry DOI: 10.7270/Q25D8SMX
More data for this
Ligand-Target Pair
Protein kinase C delta 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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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity for isolated C1b domain of protein kinase C-delta


J Med Chem 47: 4858-64 (2004)


Article DOI: 10.1021/jm049723+
BindingDB Entry DOI: 10.7270/Q25D8SMX
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50153032
PNG
((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...)
Show SMILES CC(C)C(C\C=C1/C(=O)OC(CO)(COC(=O)C(C)(C)C)C1(C)C)C(C)C
Show InChI InChI=1S/C22H38O5/c1-14(2)16(15(3)4)10-11-17-18(24)27-22(12-23,21(17,8)9)13-26-19(25)20(5,6)7/h11,14-16,23H,10,12-13H2,1-9H3/b17-11+
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Article
PubMed
1.46E+3n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity for isolated C1b domain of protein kinase C-delta


J Med Chem 47: 4858-64 (2004)


Article DOI: 10.1021/jm049723+
BindingDB Entry DOI: 10.7270/Q25D8SMX
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50370501
PNG
(CHEMBL1169402)
Show SMILES CC(C)C(C\C=C1\C(=O)OC(CO)(COC(=O)C(C)(C)C)C1(C)C)C(C)C
Show InChI InChI=1S/C22H38O5/c1-14(2)16(15(3)4)10-11-17-18(24)27-22(12-23,21(17,8)9)13-26-19(25)20(5,6)7/h11,14-16,23H,10,12-13H2,1-9H3/b17-11-
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Article
PubMed
3.47E+3n/an/an/an/an/an/an/an/a



National Cancer Institute-Frederick

Curated by ChEMBL


Assay Description
Binding affinity for isolated C1b domain of protein kinase C-delta


J Med Chem 47: 4858-64 (2004)


Article DOI: 10.1021/jm049723+
BindingDB Entry DOI: 10.7270/Q25D8SMX
More data for this
Ligand-Target Pair