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SMILES: CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1

InChI Key: InChIKey=DKOCZDDCSUQYTF-AGVRXMCOSA-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 = 50055678   
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))
BDBM50055678
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO12S/c1-42(39,40)16-11-18(29-26(35)13-5-7-15(30)8-6-13)22(12-16)41-28(38)14-9-20(32)24(21(33)10-14)25(34)23-17(27(36)37)3-2-4-19(23)31/h2-10,16,18,22,30-33H,11-12H2,1H3,(H,29,35)(H,36,37)/t16?,18-,22-/m1/s1
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n/an/a 910n/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 eta type


(Homo sapiens (Human))
BDBM50055678
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO12S/c1-42(39,40)16-11-18(29-26(35)13-5-7-15(30)8-6-13)22(12-16)41-28(38)14-9-20(32)24(21(33)10-14)25(34)23-17(27(36)37)3-2-4-19(23)31/h2-10,16,18,22,30-33H,11-12H2,1H3,(H,29,35)(H,36,37)/t16?,18-,22-/m1/s1
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n/an/a 62n/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))
BDBM50055678
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO12S/c1-42(39,40)16-11-18(29-26(35)13-5-7-15(30)8-6-13)22(12-16)41-28(38)14-9-20(32)24(21(33)10-14)25(34)23-17(27(36)37)3-2-4-19(23)31/h2-10,16,18,22,30-33H,11-12H2,1H3,(H,29,35)(H,36,37)/t16?,18-,22-/m1/s1
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n/an/a 350n/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 beta type


(Homo sapiens (Human))
BDBM50055678
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO12S/c1-42(39,40)16-11-18(29-26(35)13-5-7-15(30)8-6-13)22(12-16)41-28(38)14-9-20(32)24(21(33)10-14)25(34)23-17(27(36)37)3-2-4-19(23)31/h2-10,16,18,22,30-33H,11-12H2,1H3,(H,29,35)(H,36,37)/t16?,18-,22-/m1/s1
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n/an/a 330n/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
cAMP-dependent protein kinase catalytic subunit alpha


(Homo sapiens (Human))
BDBM50055678
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO12S/c1-42(39,40)16-11-18(29-26(35)13-5-7-15(30)8-6-13)22(12-16)41-28(38)14-9-20(32)24(21(33)10-14)25(34)23-17(27(36)37)3-2-4-19(23)31/h2-10,16,18,22,30-33H,11-12H2,1H3,(H,29,35)(H,36,37)/t16?,18-,22-/m1/s1
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n/an/a 4.50E+3n/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 zeta type


(Homo sapiens (Human))
BDBM50055678
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO12S/c1-42(39,40)16-11-18(29-26(35)13-5-7-15(30)8-6-13)22(12-16)41-28(38)14-9-20(32)24(21(33)10-14)25(34)23-17(27(36)37)3-2-4-19(23)31/h2-10,16,18,22,30-33H,11-12H2,1H3,(H,29,35)(H,36,37)/t16?,18-,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 epsilon type


(Homo sapiens (Human))
BDBM50055678
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO12S/c1-42(39,40)16-11-18(29-26(35)13-5-7-15(30)8-6-13)22(12-16)41-28(38)14-9-20(32)24(21(33)10-14)25(34)23-17(27(36)37)3-2-4-19(23)31/h2-10,16,18,22,30-33H,11-12H2,1H3,(H,29,35)(H,36,37)/t16?,18-,22-/m1/s1
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n/an/a 1.30E+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 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
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50055678
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO12S/c1-42(39,40)16-11-18(29-26(35)13-5-7-15(30)8-6-13)22(12-16)41-28(38)14-9-20(32)24(21(33)10-14)25(34)23-17(27(36)37)3-2-4-19(23)31/h2-10,16,18,22,30-33H,11-12H2,1H3,(H,29,35)(H,36,37)/t16?,18-,22-/m1/s1
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n/an/a 35n/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 gamma type


(Homo sapiens (Human))
BDBM50055678
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CS(=O)(=O)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@@H](C1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(O)=O)c(O)c1
Show InChI InChI=1S/C28H25NO12S/c1-42(39,40)16-11-18(29-26(35)13-5-7-15(30)8-6-13)22(12-16)41-28(38)14-9-20(32)24(21(33)10-14)25(34)23-17(27(36)37)3-2-4-19(23)31/h2-10,16,18,22,30-33H,11-12H2,1H3,(H,29,35)(H,36,37)/t16?,18-,22-/m1/s1
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n/an/a 400n/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