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SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1

InChI Key: InChIKey=XBPFVZLERGRBPY-XMSQKQJNSA-N

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 9 hits for monomerid = 50055680   
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 eta type


(Homo sapiens (Human))
BDBM50055680
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO12S/c30-16-8-6-14(7-9-16)26(35)29-18-13-42(39,40)10-2-5-22(18)41-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a 800n/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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50055680
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO12S/c30-16-8-6-14(7-9-16)26(35)29-18-13-42(39,40)10-2-5-22(18)41-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a 5.20E+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 alpha type


(Homo sapiens (Human))
BDBM50055680
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO12S/c30-16-8-6-14(7-9-16)26(35)29-18-13-42(39,40)10-2-5-22(18)41-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a 9.60E+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 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 zeta type


(Homo sapiens (Human))
BDBM50055680
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO12S/c30-16-8-6-14(7-9-16)26(35)29-18-13-42(39,40)10-2-5-22(18)41-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a>1.50E+5n/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
Protein kinase C gamma type


(Homo sapiens (Human))
BDBM50055680
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO12S/c30-16-8-6-14(7-9-16)26(35)29-18-13-42(39,40)10-2-5-22(18)41-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a 4.30E+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 type


(Homo sapiens (Human))
BDBM50055680
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO12S/c30-16-8-6-14(7-9-16)26(35)29-18-13-42(39,40)10-2-5-22(18)41-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a 4.50E+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
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM50055680
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO12S/c30-16-8-6-14(7-9-16)26(35)29-18-13-42(39,40)10-2-5-22(18)41-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a 3.80E+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
Protein kinase C beta type


(Homo sapiens (Human))
BDBM50055680
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO12S/c30-16-8-6-14(7-9-16)26(35)29-18-13-42(39,40)10-2-5-22(18)41-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a 3.60E+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 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))
BDBM50055680
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1CCCS(=O)(=O)C[C@H]1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C28H25NO12S/c30-16-8-6-14(7-9-16)26(35)29-18-13-42(39,40)10-2-5-22(18)41-28(38)15-11-20(32)24(21(33)12-15)25(34)23-17(27(36)37)3-1-4-19(23)31/h1,3-4,6-9,11-12,18,22,30-33H,2,5,10,13H2,(H,29,35)(H,36,37)/t18-,22-/m1/s1
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n/an/a 4.00E+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