BindingDB logo
myBDB logout

PubMed code 17079150

Compile data set for download or QSAR
Found 14 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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50197708
PNG
(4-amino-N-(4-chlorophenyl)-N-methylbenzenesulfonam...)
Show SMILES CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H13ClN2O2S/c1-16(12-6-2-10(14)3-7-12)19(17,18)13-8-4-11(15)5-9-13/h2-9H,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50197704
PNG
(CHEMBL227544 | N-(4-aminophenyl)-4-chloro-N-methyl...)
Show SMILES CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H13ClN2O2S/c1-16(12-6-4-11(15)5-7-12)19(17,18)13-8-2-10(14)3-9-13/h2-9H,15H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50197705
PNG
(4-amino-N-(4-chlorophenyl)benzenesulfonamide | CHE...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C12H11ClN2O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,14H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50197707
PNG
(CHEMBL389184 | N-(4-amino-2-methoxyphenyl)-4-chlor...)
Show SMILES COc1cc(N)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN2O3S/c1-17(13-8-5-11(16)9-14(13)20-2)21(18,19)12-6-3-10(15)4-7-12/h3-9H,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50197706
PNG
(CHEMBL227545 | N-(4-amino-2-methylphenyl)-4-chloro...)
Show SMILES CN(c1ccc(N)cc1C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN2O2S/c1-10-9-12(16)5-8-14(10)17(2)20(18,19)13-6-3-11(15)4-7-13/h3-9H,16H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50197705
PNG
(4-amino-N-(4-chlorophenyl)benzenesulfonamide | CHE...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C12H11ClN2O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50197708
PNG
(4-amino-N-(4-chlorophenyl)-N-methylbenzenesulfonam...)
Show SMILES CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H13ClN2O2S/c1-16(12-6-2-10(14)3-7-12)19(17,18)13-8-4-11(15)5-9-13/h2-9H,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50197707
PNG
(CHEMBL389184 | N-(4-amino-2-methoxyphenyl)-4-chlor...)
Show SMILES COc1cc(N)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN2O3S/c1-17(13-8-5-11(16)9-14(13)20-2)21(18,19)12-6-3-10(15)4-7-12/h3-9H,16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50197704
PNG
(CHEMBL227544 | N-(4-aminophenyl)-4-chloro-N-methyl...)
Show SMILES CN(c1ccc(N)cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H13ClN2O2S/c1-16(12-6-4-11(15)5-7-12)19(17,18)13-8-2-10(14)3-9-13/h2-9H,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50197706
PNG
(CHEMBL227545 | N-(4-amino-2-methylphenyl)-4-chloro...)
Show SMILES CN(c1ccc(N)cc1C)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN2O2S/c1-10-9-12(16)5-8-14(10)17(2)20(18,19)13-6-3-11(15)4-7-13/h3-9H,16H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2


Bioorg Med Chem 15: 1014-21 (2006)


Article DOI: 10.1016/j.bmc.2006.10.029
BindingDB Entry DOI: 10.7270/Q2KH0N0X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%