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PubMed code 19135376

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))
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as TXB2 production by enzyme immunoassay


Bioorg Med Chem 17: 1125-31 (2009)


Article DOI: 10.1016/j.bmc.2008.12.045
BindingDB Entry DOI: 10.7270/Q2B56JMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50255143
PNG
(CHEMBL482199 | N-(6-(2-benzylidenehydrazinecarbony...)
Show SMILES CS(=O)(=O)Nc1cc2OCOc2cc1C(=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C16H15N3O5S/c1-25(21,22)19-13-8-15-14(23-10-24-15)7-12(13)16(20)18-17-9-11-5-3-2-4-6-11/h2-9,19H,10H2,1H3,(H,18,20)/b17-9+
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


Bioorg Med Chem 17: 1125-31 (2009)


Article DOI: 10.1016/j.bmc.2008.12.045
BindingDB Entry DOI: 10.7270/Q2B56JMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50255143
PNG
(CHEMBL482199 | N-(6-(2-benzylidenehydrazinecarbony...)
Show SMILES CS(=O)(=O)Nc1cc2OCOc2cc1C(=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C16H15N3O5S/c1-25(21,22)19-13-8-15-14(23-10-24-15)7-12(13)16(20)18-17-9-11-5-3-2-4-6-11/h2-9,19H,10H2,1H3,(H,18,20)/b17-9+
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Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated human whole blood assessed as TXB2 production by enzyme immunoassay


Bioorg Med Chem 17: 1125-31 (2009)


Article DOI: 10.1016/j.bmc.2008.12.045
BindingDB Entry DOI: 10.7270/Q2B56JMD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50056999
PNG
(CHEMBL56367 | nimesulide)
Show SMILES CS(=O)(=O)Nc1ccc(cc1Oc1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3
PDB

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antibodypedia
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Article
PubMed
n/an/a 1.09E+4n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as TXB2 production by enzyme immunoassay


Bioorg Med Chem 17: 1125-31 (2009)


Article DOI: 10.1016/j.bmc.2008.12.045
BindingDB Entry DOI: 10.7270/Q2B56JMD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%