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BDBM50055667 4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (2R,3R)-3-(4-hydroxy-benzoylamino)-1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester::CHEMBL309078

SMILES: CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1

InChI Key: InChIKey=HCDKPFLBNVCSDB-VCLKZZDRSA-N

Data: 9 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 9 hits for monomerid = 50055667   
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))
BDBM50055667
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
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?/m1/s1
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PubMed
n/an/a 410n/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


(Homo sapiens (Human))
BDBM50055667
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
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?/m1/s1
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n/an/a 310n/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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055667
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
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?/m1/s1
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n/an/a 80n/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, epsilon


(Homo sapiens (Human))
BDBM50055667
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
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?/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 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, gamma


(Homo sapiens (Human))
BDBM50055667
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
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?/m1/s1
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n/an/a 210n/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 delta type


(Homo sapiens (Human))
BDBM50055667
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
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?/m1/s1
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n/an/a 340n/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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055667
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
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?/m1/s1
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n/an/a 310n/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)


(Homo sapiens (Human))
BDBM50055667
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
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?/m1/s1
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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))
BDBM50055667
PNG
(4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benz...)
Show SMILES CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(O)=O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1 |TLB:33:32:1:5.4,THB:9:8:1:5.4|
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?/m1/s1
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n/an/a 2.60E+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