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PubMed code 19883244

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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM233052
PNG
(3-(2,6-Dichlorobenzylidene)-5-(4-isobutylphenyl)-2...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2c(Cl)cccc2Cl)C(=O)O1
Show InChI InChI=1S/C21H18Cl2O2/c1-13(2)10-14-6-8-15(9-7-14)20-12-16(21(24)25-20)11-17-18(22)4-3-5-19(17)23/h3-9,11-13H,10H2,1-2H3/b16-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM233053
PNG
(3-(2,4-Dichlorobenzylidene)-5-(4-isobutylphenyl)-2...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2ccc(Cl)cc2Cl)C(=O)O1
Show InChI InChI=1S/C21H18Cl2O2/c1-13(2)9-14-3-5-15(6-4-14)20-11-17(21(24)25-20)10-16-7-8-18(22)12-19(16)23/h3-8,10-13H,9H2,1-2H3/b17-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM233050
PNG
(3-(2-Chlorobenzylidene)-5-(4-isobutylphenyl)-2(3H)...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2ccccc2Cl)C(=O)O1
Show InChI InChI=1S/C21H19ClO2/c1-14(2)11-15-7-9-16(10-8-15)20-13-18(21(23)24-20)12-17-5-3-4-6-19(17)22/h3-10,12-14H,11H2,1-2H3/b18-12+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM233051
PNG
(3-(4-Fluorobenzylidene)-5-(4-isobutylphenyl)-2(3H)...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2ccc(F)cc2)C(=O)O1
Show InChI InChI=1S/C21H19FO2/c1-14(2)11-15-3-7-17(8-4-15)20-13-18(21(23)24-20)12-16-5-9-19(22)10-6-16/h3-10,12-14H,11H2,1-2H3/b18-12+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM233052
PNG
(3-(2,6-Dichlorobenzylidene)-5-(4-isobutylphenyl)-2...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2c(Cl)cccc2Cl)C(=O)O1
Show InChI InChI=1S/C21H18Cl2O2/c1-13(2)10-14-6-8-15(9-7-14)20-12-16(21(24)25-20)11-17-18(22)4-3-5-19(17)23/h3-9,11-13H,10H2,1-2H3/b16-11+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.76E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM233053
PNG
(3-(2,4-Dichlorobenzylidene)-5-(4-isobutylphenyl)-2...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2ccc(Cl)cc2Cl)C(=O)O1
Show InChI InChI=1S/C21H18Cl2O2/c1-13(2)9-14-3-5-15(6-4-14)20-11-17(21(24)25-20)10-16-7-8-18(22)12-19(16)23/h3-8,10-13H,9H2,1-2H3/b17-10+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.82E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM233050
PNG
(3-(2-Chlorobenzylidene)-5-(4-isobutylphenyl)-2(3H)...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2ccccc2Cl)C(=O)O1
Show InChI InChI=1S/C21H19ClO2/c1-14(2)11-15-7-9-16(10-8-15)20-13-18(21(23)24-20)12-17-5-3-4-6-19(17)22/h3-10,12-14H,11H2,1-2H3/b18-12+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.24E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM233051
PNG
(3-(4-Fluorobenzylidene)-5-(4-isobutylphenyl)-2(3H)...)
Show SMILES CC(C)Cc1ccc(cc1)C1=C\C(=C/c2ccc(F)cc2)C(=O)O1
Show InChI InChI=1S/C21H19FO2/c1-14(2)11-15-3-7-17(8-4-15)20-13-18(21(23)24-20)12-16-5-9-19(22)10-6-16/h3-10,12-14H,11H2,1-2H3/b18-12+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.83E+4n/an/an/an/an/an/a



Jamia Hamdard



Assay Description
Inhibition of the enzymes was determined using an enzyme immunoassay (EIA) kit (catalog no. 560101, Cayman Chemical, Ann Arbor, MI, USA) according to...


J Enzyme Inhib Med Chem 25: 323-30 (2010)


Article DOI: 10.3109/14756360903179435
BindingDB Entry DOI: 10.7270/Q26H4G8J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%