BindingDB logo
myBDB logout

PubMed code 19286379

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50293280
PNG
(3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.090
BindingDB Entry DOI: 10.7270/Q2CF9PZR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50293282
PNG
(CHEMBL504535 | Imrecoxib)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.090
BindingDB Entry DOI: 10.7270/Q2CF9PZR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50293280
PNG
(3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 87n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.090
BindingDB Entry DOI: 10.7270/Q2CF9PZR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50293280
PNG
(3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3
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 87n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced COX2 activity


Bioorg Med Chem Lett 19: 2270-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.090
BindingDB Entry DOI: 10.7270/Q2CF9PZR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50293282
PNG
(CHEMBL504535 | Imrecoxib)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 114n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.090
BindingDB Entry DOI: 10.7270/Q2CF9PZR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50293281
PNG
(4-(4-(4-(methylsulfonyl)phenyl)-2-oxo-1-propyl-2,5...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C21H21NO5S/c1-3-12-22-13-18(14-8-10-17(11-9-14)28(2,26)27)19(20(22)23)15-4-6-16(7-5-15)21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 409n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.090
BindingDB Entry DOI: 10.7270/Q2CF9PZR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)
BDBM50293281
PNG
(4-(4-(4-(methylsulfonyl)phenyl)-2-oxo-1-propyl-2,5...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C21H21NO5S/c1-3-12-22-13-18(14-8-10-17(11-9-14)28(2,26)27)19(20(22)23)15-4-6-16(7-5-15)21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.78E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.090
BindingDB Entry DOI: 10.7270/Q2CF9PZR
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50293281
PNG
(4-(4-(4-(methylsulfonyl)phenyl)-2-oxo-1-propyl-2,5...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O |c:5|
Show InChI InChI=1S/C21H21NO5S/c1-3-12-22-13-18(14-8-10-17(11-9-14)28(2,26)27)19(20(22)23)15-4-6-16(7-5-15)21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.78E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of calcimycin-induced COX1 activity


Bioorg Med Chem Lett 19: 2270-2 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.090
BindingDB Entry DOI: 10.7270/Q2CF9PZR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%