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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 494.4
BDBM3202

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

Found 15 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 eta type


(Homo sapiens (Human))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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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))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C eta


Bioorg Med Chem Lett 6: 1759-1764 (1996)


Article DOI: 10.1016/0960-894X(96)00311-3
BindingDB Entry DOI: 10.7270/Q2QR4X3R
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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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))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C alpha


Bioorg Med Chem Lett 6: 1759-1764 (1996)


Article DOI: 10.1016/0960-894X(96)00311-3
BindingDB Entry DOI: 10.7270/Q2QR4X3R
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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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 delta type


(Homo sapiens (Human))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C delta


Bioorg Med Chem Lett 6: 1759-1764 (1996)


Article DOI: 10.1016/0960-894X(96)00311-3
BindingDB Entry DOI: 10.7270/Q2QR4X3R
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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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))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C beta I


Bioorg Med Chem Lett 6: 1759-1764 (1996)


Article DOI: 10.1016/0960-894X(96)00311-3
BindingDB Entry DOI: 10.7270/Q2QR4X3R
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C alpha


Bioorg Med Chem Lett 6: 1759-1764 (1996)


Article DOI: 10.1016/0960-894X(96)00311-3
BindingDB Entry DOI: 10.7270/Q2QR4X3R
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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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))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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n/an/a 240n/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))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C epsilon


Bioorg Med Chem Lett 6: 1759-1764 (1996)


Article DOI: 10.1016/0960-894X(96)00311-3
BindingDB Entry DOI: 10.7270/Q2QR4X3R
More data for this
Ligand-Target Pair
Protein kinase C gamma type


(Homo sapiens (Human))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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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))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C gamma


Bioorg Med Chem Lett 6: 1759-1764 (1996)


Article DOI: 10.1016/0960-894X(96)00311-3
BindingDB Entry DOI: 10.7270/Q2QR4X3R
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha


(Bos taurus (bovine))
BDBM3202
PNG
((+-)-anti-2-[[2,6-Dihydroxy-4-[[[2-(4-hydroxypheny...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Oc1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H22O10/c27-14-7-9-15(10-8-14)35-20-5-2-6-21(20)36-26(34)13-11-18(29)23(19(30)12-13)24(31)22-16(25(32)33)3-1-4-17(22)28/h1,3-4,7-12,20-21,27-30H,2,5-6H2,(H,32,33)/t20-,21-/m1/s1
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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