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BDBM3220 2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzene)amido]cyclopentyl]oxy}methyl)phenyl]carbonyl}-3-hydroxybenzoic acid::Modified Benzophenone Ring, Balanol Analog 20::trans-1-[4-(2-Hydroxycarbonyl-6-hydroxybenzoyl)-3,5-dihydroxybenzyloxy]-2-(4-hydroxybenzamido)cyclopentane

SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O

InChI Key: InChIKey=OVJZHEDXGAPGDA-XMSQKQJNSA-N

Data: 12 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 12 hits for monomerid = 3220   
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))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 460n/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 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 290n/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 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 370n/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 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 320n/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 45: 2624-43 (2002)


Article DOI: 10.1021/jm020018f
BindingDB Entry DOI: 10.7270/Q2BG2M50
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C eta


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 460n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C delta


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C zeta


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C gamma


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3220
PNG
(2-{[2,6-dihydroxy-4-({[(1R,2R)-2-[(4-hydroxybenzen...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(CO[C@@H]2CCC[C@H]2NC(=O)c2ccc(O)cc2)cc1O |r|
Show InChI InChI=1S/C27H25NO9/c29-16-9-7-15(8-10-16)26(34)28-18-4-2-6-22(18)37-13-14-11-20(31)24(21(32)12-14)25(33)23-17(27(35)36)3-1-5-19(23)30/h1,3,5,7-12,18,22,29-32H,2,4,6,13H2,(H,28,34)(H,35,36)/t18-,22-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 5: 2015-2020 (1995)


Article DOI: 10.1016/0960-894X(95)00344-S
BindingDB Entry DOI: 10.7270/Q29C6XD1
More data for this
Ligand-Target Pair