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BDBM3162 2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)carbonyl]phenyl}carbonyl)-3-hydroxybenzoic acid::Balanol analog 28

SMILES: CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1

InChI Key: InChIKey=HCDKPFLBNVCSDB-VIJXUKQGSA-N

Data: 10 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 10 hits for monomerid = 3162   
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))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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Article
n/an/a 410n/an/an/an/a7.530



Sphinx Laboratories



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


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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n/an/a 310n/an/an/an/a7.530



Sphinx Laboratories



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


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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n/an/a 80n/an/an/an/a7.530



Sphinx Laboratories



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


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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n/an/a 210n/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.


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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n/an/a 2.60E+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.


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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n/an/a 3.60E+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.


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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n/an/a 310n/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.


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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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.


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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n/an/a 2.60E+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.


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM3162
PNG
(2-({2,6-dihydroxy-4-[({3-[(4-hydroxybenzene)amido]...)
Show SMILES CC1(C)C2CCC1(C)C(OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)C2NC(=O)c1ccc(O)cc1 |TLB:9:8:5.4:1,33:32:5.4:1|
Show InChI InChI=1S/C32H31NO10/c1-31(2)19-11-12-32(31,3)27(25(19)33-28(39)15-7-9-17(34)10-8-15)43-30(42)16-13-21(36)24(22(37)14-16)26(38)23-18(29(40)41)5-4-6-20(23)35/h4-10,13-14,19,25,27,34-37H,11-12H2,1-3H3,(H,33,39)(H,40,41)/t19?,25?,27?,32-/m0/s1
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n/an/a 340n/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.


Bioorg Med Chem Lett 5: 2211-6 (1995)


Article DOI: 10.1016/0960-894X(95)00382-4
BindingDB Entry DOI: 10.7270/Q2QR4V9M
More data for this
Ligand-Target Pair