BindingDB logo
myBDB logout

BDBM50055666 4-(2-Carboxy-6-hydroxy-benzoyl)-3,5-dihydroxy-benzoic acid (2R,3R)-3-(4-hydroxy-benzoylamino)-bicyclo[2.2.1]hept-2-yl ester::CHEMBL80525

SMILES: OC(=O)c1cccc(O)c1C(=O)c1c(O)cc(cc1O)C(=O)O[C@@H]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1

InChI Key: InChIKey=GQCWIZZVARXZGR-YPBHZARMSA-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 = 50055666   
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))
BDBM50055666
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]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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))
BDBM50055666
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]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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))
BDBM50055666
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]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/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, epsilon


(Homo sapiens (Human))
BDBM50055666
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]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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))
BDBM50055666
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]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/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 (PKC)


(Homo sapiens (Human))
BDBM50055666
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]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+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 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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50055666
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]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50055666
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]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+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 delta type


(Homo sapiens (Human))
BDBM50055666
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]1C2CCC(C2)[C@H]1NC(=O)c1ccc(O)cc1 |TLB:22:23:28:26.25,THB:30:29:28:26.25|
Show InChI InChI=1S/C29H25NO10/c31-17-8-6-13(7-9-17)27(36)30-24-14-4-5-15(10-14)26(24)40-29(39)16-11-20(33)23(21(34)12-16)25(35)22-18(28(37)38)2-1-3-19(22)32/h1-3,6-9,11-12,14-15,24,26,31-34H,4-5,10H2,(H,30,36)(H,37,38)/t14?,15?,24-,26-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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