BindingDB logo
myBDB logout

PubMed code 18835505

Compile data set for download or QSAR
Found 15 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 1


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50249343
PNG
((2R,4R,6S)-2-(4-fluorophenyl)-4-methyl-6-(thiocyan...)
Show SMILES C[C@]1(O)C[C@@H](CSC#N)O[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C14H16FNO2S/c1-14(17)6-12(8-19-9-16)18-13(7-14)10-2-4-11(15)5-3-10/h2-5,12-13,17H,6-8H2,1H3/t12-,13+,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50249344
PNG
((2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylthiomethyl)-...)
Show SMILES CCSC[C@@H]1C[C@](C)(O)C[C@@H](O1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H21ClO2S/c1-3-19-10-13-8-15(2,17)9-14(18-13)11-4-6-12(16)7-5-11/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14+,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50249341
PNG
((2R,4R,6S)-4-methyl-2-(4-nitrophenyl)-6-(thiocyana...)
Show SMILES C[C@]1(O)C[C@@H](CSC#N)O[C@H](C1)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C14H16N2O4S/c1-14(17)6-12(8-21-9-15)20-13(7-14)10-2-4-11(5-3-10)16(18)19/h2-5,12-13,17H,6-8H2,1H3/t12-,13+,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50249342
PNG
((2S,4R,6R)-2-(ethylthiomethyl)-6-(4-fluorophenyl)-...)
Show SMILES CCSC[C@@H]1C[C@](C)(O)C[C@@H](O1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C15H21FO2S/c1-3-19-10-13-8-15(2,17)9-14(18-13)11-4-6-12(16)7-5-11/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14+,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50249344
PNG
((2R,4R,6S)-2-(4-chlorophenyl)-6-(ethylthiomethyl)-...)
Show SMILES CCSC[C@@H]1C[C@](C)(O)C[C@@H](O1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H21ClO2S/c1-3-19-10-13-8-15(2,17)9-14(18-13)11-4-6-12(16)7-5-11/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14+,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50249341
PNG
((2R,4R,6S)-4-methyl-2-(4-nitrophenyl)-6-(thiocyana...)
Show SMILES C[C@]1(O)C[C@@H](CSC#N)O[C@H](C1)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C14H16N2O4S/c1-14(17)6-12(8-21-9-15)20-13(7-14)10-2-4-11(5-3-10)16(18)19/h2-5,12-13,17H,6-8H2,1H3/t12-,13+,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50249345
PNG
((2R,4R,6S)-2-(4-bromophenyl)-6-(ethylthiomethyl)-4...)
Show SMILES CCSC[C@@H]1C[C@](C)(O)C[C@@H](O1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C15H21BrO2S/c1-3-19-10-13-8-15(2,17)9-14(18-13)11-4-6-12(16)7-5-11/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14+,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50249373
PNG
((2R,4R,6S)-2-(4-bromophenyl)-4-methyl-6-(thiocyana...)
Show SMILES C[C@]1(O)C[C@@H](CSC#N)O[C@H](C1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C14H16BrNO2S/c1-14(17)6-12(8-19-9-16)18-13(7-14)10-2-4-11(15)5-3-10/h2-5,12-13,17H,6-8H2,1H3/t12-,13+,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50249340
PNG
((2S,4R,6R)-2-(ethylthiomethyl)-4-methyl-6-(4-nitro...)
Show SMILES CCSC[C@@H]1C[C@](C)(O)C[C@@H](O1)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H21NO4S/c1-3-21-10-13-8-15(2,17)9-14(20-13)11-4-6-12(7-5-11)16(18)19/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14+,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50249343
PNG
((2R,4R,6S)-2-(4-fluorophenyl)-4-methyl-6-(thiocyan...)
Show SMILES C[C@]1(O)C[C@@H](CSC#N)O[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C14H16FNO2S/c1-14(17)6-12(8-19-9-16)18-13(7-14)10-2-4-11(15)5-3-10/h2-5,12-13,17H,6-8H2,1H3/t12-,13+,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50249373
PNG
((2R,4R,6S)-2-(4-bromophenyl)-4-methyl-6-(thiocyana...)
Show SMILES C[C@]1(O)C[C@@H](CSC#N)O[C@H](C1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C14H16BrNO2S/c1-14(17)6-12(8-19-9-16)18-13(7-14)10-2-4-11(15)5-3-10/h2-5,12-13,17H,6-8H2,1H3/t12-,13+,14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50249340
PNG
((2S,4R,6R)-2-(ethylthiomethyl)-4-methyl-6-(4-nitro...)
Show SMILES CCSC[C@@H]1C[C@](C)(O)C[C@@H](O1)c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C15H21NO4S/c1-3-21-10-13-8-15(2,17)9-14(20-13)11-4-6-12(7-5-11)16(18)19/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14+,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50249345
PNG
((2R,4R,6S)-2-(4-bromophenyl)-6-(ethylthiomethyl)-4...)
Show SMILES CCSC[C@@H]1C[C@](C)(O)C[C@@H](O1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C15H21BrO2S/c1-3-19-10-13-8-15(2,17)9-14(18-13)11-4-6-12(16)7-5-11/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14+,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Eur J Med Chem 44: 1278-87 (2009)


Article DOI: 10.1016/j.ejmech.2008.08.008
BindingDB Entry DOI: 10.7270/Q2H41R8Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%