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BDBM50055675 4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid 2-(4-hydroxy-benzoylamino)-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester::CHEMBL306883

SMILES: CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

InChI Key: InChIKey=DWBQHQGWEQXPKL-UHFFFAOYSA-N

Data: 17 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 17 hits for monomerid = 50055675   
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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a 4.40E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 1 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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Article
n/an/a 4.60E+3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
Inhibition of Protein kinase C beta 1


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 alpha type


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a 3.40E+4n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C alpha isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a 4.60E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C gamma isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a 2.70E+4n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C epsilon isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a 1.40E+4n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C beta 2 isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a 5.00E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C delta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a>5.00E+4n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C zeta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a>5.00E+4n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against recombinant human cAMP-dependent Protein kinase A


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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Article
n/an/a 3.50E+4n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
Inhibition of Protein kinase C beta 1


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; classical/novel


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a 2.70E+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 iota type/zeta type


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
Inhibition of Protein kinase C delta


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))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
Inhibition of Protein kinase C beta 1


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))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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Article
n/an/a 4.40E+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.


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; classical/novel


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
Inhibition of Protein kinase C beta 2


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; classical/novel


(Homo sapiens (Human))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sphinx Laboratories



Assay Description
Inhibition of Protein kinase C zeta


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))
BDBM50055675
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CN1C2CCC1C(NC(=O)c1ccc(O)cc1)C(C2)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1 |TLB:19:17:1:4.3,THB:7:6:1:4.3|
Show InChI InChI=1S/C30H28N2O10/c1-32-16-7-10-19(32)26(31-28(38)14-5-8-17(33)9-6-14)23(13-16)42-30(41)15-11-21(35)25(22(36)12-15)27(37)24-18(29(39)40)3-2-4-20(24)34/h2-6,8-9,11-12,16,19,23,26,33-36H,7,10,13H2,1H3,(H,31,38)(H,39,40)
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



A Division of Eli Lilly & Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant human Protein kinase C eta isozyme


J Med Chem 40: 226-35 (1997)


Article DOI: 10.1021/jm960497g
BindingDB Entry DOI: 10.7270/Q2J965HR
More data for this
Ligand-Target Pair