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BDBM50289211 4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (R)-2-(4-hydroxy-benzoylamino)-indan-1-yl ester::CHEMBL367162

SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1

InChI Key: InChIKey=SWZFTDYOTKYQHS-IHKRANBOSA-N

Data: 7 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 7 hits for monomerid = 50289211   
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))
BDBM50289211
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)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C31H23NO10/c33-18-10-8-15(9-11-18)29(38)32-21-12-16-4-1-2-5-19(16)28(21)42-31(41)17-13-23(35)26(24(36)14-17)27(37)25-20(30(39)40)6-3-7-22(25)34/h1-11,13-14,21,28,33-36H,12H2,(H,32,38)(H,39,40)/t21-,28?/m1/s1
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C alpha


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50289211
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)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C31H23NO10/c33-18-10-8-15(9-11-18)29(38)32-21-12-16-4-1-2-5-19(16)28(21)42-31(41)17-13-23(35)26(24(36)14-17)27(37)25-20(30(39)40)6-3-7-22(25)34/h1-11,13-14,21,28,33-36H,12H2,(H,32,38)(H,39,40)/t21-,28?/m1/s1
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C epsilon


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50289211
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)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C31H23NO10/c33-18-10-8-15(9-11-18)29(38)32-21-12-16-4-1-2-5-19(16)28(21)42-31(41)17-13-23(35)26(24(36)14-17)27(37)25-20(30(39)40)6-3-7-22(25)34/h1-11,13-14,21,28,33-36H,12H2,(H,32,38)(H,39,40)/t21-,28?/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 beta 1


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50289211
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)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C31H23NO10/c33-18-10-8-15(9-11-18)29(38)32-21-12-16-4-1-2-5-19(16)28(21)42-31(41)17-13-23(35)26(24(36)14-17)27(37)25-20(30(39)40)6-3-7-22(25)34/h1-11,13-14,21,28,33-36H,12H2,(H,32,38)(H,39,40)/t21-,28?/m1/s1
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n/an/a<29n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50289211
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)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C31H23NO10/c33-18-10-8-15(9-11-18)29(38)32-21-12-16-4-1-2-5-19(16)28(21)42-31(41)17-13-23(35)26(24(36)14-17)27(37)25-20(30(39)40)6-3-7-22(25)34/h1-11,13-14,21,28,33-36H,12H2,(H,32,38)(H,39,40)/t21-,28?/m1/s1
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n/an/a<25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C beta 1


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50289211
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)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C31H23NO10/c33-18-10-8-15(9-11-18)29(38)32-21-12-16-4-1-2-5-19(16)28(21)42-31(41)17-13-23(35)26(24(36)14-17)27(37)25-20(30(39)40)6-3-7-22(25)34/h1-11,13-14,21,28,33-36H,12H2,(H,32,38)(H,39,40)/t21-,28?/m1/s1
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n/an/a<25n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair
Protein kinase C, PKC; classical/novel


(Homo sapiens (Human))
BDBM50289211
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)OC1[C@@H](Cc2ccccc12)NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C31H23NO10/c33-18-10-8-15(9-11-18)29(38)32-21-12-16-4-1-2-5-19(16)28(21)42-31(41)17-13-23(35)26(24(36)14-17)27(37)25-20(30(39)40)6-3-7-22(25)34/h1-11,13-14,21,28,33-36H,12H2,(H,32,38)(H,39,40)/t21-,28?/m1/s1
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n/an/a<25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C alpha


Bioorg Med Chem Lett 6: 973-978 (1996)


Article DOI: 10.1016/0960-894X(96)00151-5
BindingDB Entry DOI: 10.7270/Q23B603M
More data for this
Ligand-Target Pair