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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C delta type' and Ligand = 'BDBM50239328'   
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))
BDBM50239328
PNG
(2-(3-((dimethylamino)methyl)phenyl)-4-(4-methyl-1H...)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C26H23N5S/c1-16-20-9-10-28-23(20)8-7-22(16)30-25-19(13-27)14-29-26-21(25)12-24(32-26)18-6-4-5-17(11-18)15-31(2)3/h4-12,14,28H,15H2,1-3H3,(H,29,30)
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Article
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96n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


Bioorg Med Chem Lett 18: 2850-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.077
BindingDB Entry DOI: 10.7270/Q251403C
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50239328
PNG
(2-(3-((dimethylamino)methyl)phenyl)-4-(4-methyl-1H...)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C26H23N5S/c1-16-20-9-10-28-23(20)8-7-22(16)30-25-19(13-27)14-29-26-21(25)12-24(32-26)18-6-4-5-17(11-18)15-31(2)3/h4-12,14,28H,15H2,1-3H3,(H,29,30)
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Article
PubMed
96n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


Bioorg Med Chem Lett 18: 2850-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.077
BindingDB Entry DOI: 10.7270/Q251403C
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50239328
PNG
(2-(3-((dimethylamino)methyl)phenyl)-4-(4-methyl-1H...)
Show SMILES CN(C)Cc1cccc(c1)-c1cc2c(Nc3ccc4[nH]ccc4c3C)c(cnc2s1)C#N
Show InChI InChI=1S/C26H23N5S/c1-16-20-9-10-28-23(20)8-7-22(16)30-25-19(13-27)14-29-26-21(25)12-24(32-26)18-6-4-5-17(11-18)15-31(2)3/h4-12,14,28H,15H2,1-3H3,(H,29,30)
PDB
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KEGG

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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human full length PKCdelta


Bioorg Med Chem Lett 19: 766-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.021
BindingDB Entry DOI: 10.7270/Q2KW5FX7
More data for this
Ligand-Target Pair