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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 593.5
BDBM3196

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

Found 8 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


(Homo sapiens (Human))
BDBM3196
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[2-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H23NO11S/c31-18-11-9-16(10-12-18)21(30-42(39,40)19-5-2-1-3-6-19)15-41-29(38)17-13-23(33)26(24(34)14-17)27(35)25-20(28(36)37)7-4-8-22(25)32/h1-14,21,30-34H,15H2,(H,36,37)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3196
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[2-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H23NO11S/c31-18-11-9-16(10-12-18)21(30-42(39,40)19-5-2-1-3-6-19)15-41-29(38)17-13-23(33)26(24(34)14-17)27(35)25-20(28(36)37)7-4-8-22(25)32/h1-14,21,30-34H,15H2,(H,36,37)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C eta type


(Homo sapiens (Human))
BDBM3196
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[2-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H23NO11S/c31-18-11-9-16(10-12-18)21(30-42(39,40)19-5-2-1-3-6-19)15-41-29(38)17-13-23(33)26(24(34)14-17)27(35)25-20(28(36)37)7-4-8-22(25)32/h1-14,21,30-34H,15H2,(H,36,37)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C gamma type


(Homo sapiens (Human))
BDBM3196
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[2-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H23NO11S/c31-18-11-9-16(10-12-18)21(30-42(39,40)19-5-2-1-3-6-19)15-41-29(38)17-13-23(33)26(24(34)14-17)27(35)25-20(28(36)37)7-4-8-22(25)32/h1-14,21,30-34H,15H2,(H,36,37)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3196
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[2-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H23NO11S/c31-18-11-9-16(10-12-18)21(30-42(39,40)19-5-2-1-3-6-19)15-41-29(38)17-13-23(33)26(24(34)14-17)27(35)25-20(28(36)37)7-4-8-22(25)32/h1-14,21,30-34H,15H2,(H,36,37)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM3196
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[2-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H23NO11S/c31-18-11-9-16(10-12-18)21(30-42(39,40)19-5-2-1-3-6-19)15-41-29(38)17-13-23(33)26(24(34)14-17)27(35)25-20(28(36)37)7-4-8-22(25)32/h1-14,21,30-34H,15H2,(H,36,37)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3196
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[2-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H23NO11S/c31-18-11-9-16(10-12-18)21(30-42(39,40)19-5-2-1-3-6-19)15-41-29(38)17-13-23(33)26(24(34)14-17)27(35)25-20(28(36)37)7-4-8-22(25)32/h1-14,21,30-34H,15H2,(H,36,37)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
PKC was assayed by quantitating the incorporation of 32P from [gamma-32P]ATP into histone type IIIs.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3196
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[2-(4-hydroxyphenyl)-2-[...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OCC(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H23NO11S/c31-18-11-9-16(10-12-18)21(30-42(39,40)19-5-2-1-3-6-19)15-41-29(38)17-13-23(33)26(24(34)14-17)27(35)25-20(28(36)37)7-4-8-22(25)32/h1-14,21,30-34H,15H2,(H,36,37)
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PC cid
PC sid
UniChem
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
The activity of PKA, activated by cAMP, is measured by its ability to transfer phosphate from [gamma-32P]ATP to histone.


J Med Chem 39: 5215-27 (1996)


Article DOI: 10.1021/jm960581w
BindingDB Entry DOI: 10.7270/Q2G73BVV
More data for this
Ligand-Target Pair