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BDBM3205 (+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydroxybenzyl)cyclopentyl]oxy]carbonyl]phenyl]carbonyl]-3-hydroxybenzoate::(1R,2S)-2-[(4-hydroxyphenyl)methyl]cyclopentyl 3,5-dihydroxy-4-{[2-hydroxy-6-(methoxycarbonyl)phenyl]carbonyl}benzoate::Balanol Analog 29c

SMILES: COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1

InChI Key: InChIKey=KSITVHDHIJKJBG-QMHKHESXSA-N

Data: 15 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 3205   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 1.40E+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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C beta II


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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 90n/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


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 1.70E+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 delta type


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 50n/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


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 4.50E+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


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 40n/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 (PKA)


(Bos taurus (bovine))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



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, eta


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C beta II


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))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/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, gamma


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



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
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3205
PNG
((+/-)-anti-Methyl 2-[[2,6-dihydroxy-4-[[[2-(4-hydr...)
Show SMILES COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCC[C@H]1Cc1ccc(O)cc1 |r|
Show InChI InChI=1S/C28H26O9/c1-36-28(35)19-5-3-6-20(30)24(19)26(33)25-21(31)13-17(14-22(25)32)27(34)37-23-7-2-4-16(23)12-15-8-10-18(29)11-9-15/h3,5-6,8-11,13-14,16,23,29-32H,2,4,7,12H2,1H3/t16-,23+/m0/s1
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n/an/a 100n/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