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PubMed code 18072726

Compile data set for download or QSAR
Found 4 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


(Homo sapiens (Human))
BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2


J Med Chem 51: 142-7 (2008)


Article DOI: 10.1021/jm070821f
BindingDB Entry DOI: 10.7270/Q20G3JWV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50229774
PNG
(CHEMBL254418 | N-Hydroxy-4-(5-methyl-3-phenylisoxa...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(=O)(=O)NO)-c1ccccc1
Show InChI InChI=1S/C16H14N2O4S/c1-11-15(16(17-22-11)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(20,21)18-19/h2-10,18-19H,1H3
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2


J Med Chem 51: 142-7 (2008)


Article DOI: 10.1021/jm070821f
BindingDB Entry DOI: 10.7270/Q20G3JWV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50229774
PNG
(CHEMBL254418 | N-Hydroxy-4-(5-methyl-3-phenylisoxa...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(=O)(=O)NO)-c1ccccc1
Show InChI InChI=1S/C16H14N2O4S/c1-11-15(16(17-22-11)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(20,21)18-19/h2-10,18-19H,1H3
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Article
PubMed
n/an/a 9.62E+4n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 142-7 (2008)


Article DOI: 10.1021/jm070821f
BindingDB Entry DOI: 10.7270/Q20G3JWV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
PDB

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Article
PubMed
n/an/a 1.57E+5n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Med Chem 51: 142-7 (2008)


Article DOI: 10.1021/jm070821f
BindingDB Entry DOI: 10.7270/Q20G3JWV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%