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BDBM3193 (+-)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-1-methylpropyl]oxy]carbonyl]phenyl]carbonyl]-3-hydroxybenzoic Acid::2-{[2,6-dihydroxy-4-({[4-(4-hydroxyphenyl)butan-2-yl]oxy}carbonyl)phenyl]carbonyl}-3-hydroxybenzoic acid::Acyclic Balanol Analog 21b

SMILES: CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

InChI Key: InChIKey=TXVBBLNFLUZGIT-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 3193   
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))
BDBM3193
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-1-...)
Show SMILES CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C25H22O9/c1-13(5-6-14-7-9-16(26)10-8-14)34-25(33)15-11-19(28)22(20(29)12-15)23(30)21-17(24(31)32)3-2-4-18(21)27/h2-4,7-13,26-29H,5-6H2,1H3,(H,31,32)
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n/an/a 410n/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))
BDBM3193
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-1-...)
Show SMILES CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C25H22O9/c1-13(5-6-14-7-9-16(26)10-8-14)34-25(33)15-11-19(28)22(20(29)12-15)23(30)21-17(24(31)32)3-2-4-18(21)27/h2-4,7-13,26-29H,5-6H2,1H3,(H,31,32)
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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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3193
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-1-...)
Show SMILES CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C25H22O9/c1-13(5-6-14-7-9-16(26)10-8-14)34-25(33)15-11-19(28)22(20(29)12-15)23(30)21-17(24(31)32)3-2-4-18(21)27/h2-4,7-13,26-29H,5-6H2,1H3,(H,31,32)
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n/an/a 30n/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))
BDBM3193
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-1-...)
Show SMILES CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C25H22O9/c1-13(5-6-14-7-9-16(26)10-8-14)34-25(33)15-11-19(28)22(20(29)12-15)23(30)21-17(24(31)32)3-2-4-18(21)27/h2-4,7-13,26-29H,5-6H2,1H3,(H,31,32)
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n/an/a 20n/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))
BDBM3193
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-1-...)
Show SMILES CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C25H22O9/c1-13(5-6-14-7-9-16(26)10-8-14)34-25(33)15-11-19(28)22(20(29)12-15)23(30)21-17(24(31)32)3-2-4-18(21)27/h2-4,7-13,26-29H,5-6H2,1H3,(H,31,32)
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n/an/a 250n/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))
BDBM3193
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-1-...)
Show SMILES CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C25H22O9/c1-13(5-6-14-7-9-16(26)10-8-14)34-25(33)15-11-19(28)22(20(29)12-15)23(30)21-17(24(31)32)3-2-4-18(21)27/h2-4,7-13,26-29H,5-6H2,1H3,(H,31,32)
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n/an/a 30n/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))
BDBM3193
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-1-...)
Show SMILES CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C25H22O9/c1-13(5-6-14-7-9-16(26)10-8-14)34-25(33)15-11-19(28)22(20(29)12-15)23(30)21-17(24(31)32)3-2-4-18(21)27/h2-4,7-13,26-29H,5-6H2,1H3,(H,31,32)
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n/an/a 280n/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))
BDBM3193
PNG
((+-)-2-[[2,6-Dihydroxy-4-[[[3-(4-hydroxyphenyl)-1-...)
Show SMILES CC(CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C25H22O9/c1-13(5-6-14-7-9-16(26)10-8-14)34-25(33)15-11-19(28)22(20(29)12-15)23(30)21-17(24(31)32)3-2-4-18(21)27/h2-4,7-13,26-29H,5-6H2,1H3,(H,31,32)
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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