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PubMed code 19059783

Compile data set for download or QSAR
Found 3 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))
BDBM50254291
PNG
(2-(4-(Methylsulfonyl)phenyl)-N-(4-methoxyphenyl)-i...)
Show SMILES COc1ccc(Nc2c(nc3ccccn23)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C21H19N3O3S/c1-27-17-10-8-16(9-11-17)22-21-20(23-19-5-3-4-14-24(19)21)15-6-12-18(13-7-15)28(2,25)26/h3-14,22H,1-2H3
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PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Federal University of Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of PGHS2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay


Bioorg Med Chem 17: 74-84 (2008)


Article DOI: 10.1016/j.bmc.2008.11.018
BindingDB Entry DOI: 10.7270/Q2TQ61DC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Federal University of Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of PGHS2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay


Bioorg Med Chem 17: 74-84 (2008)


Article DOI: 10.1016/j.bmc.2008.11.018
BindingDB Entry DOI: 10.7270/Q2TQ61DC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50254238
PNG
(2-Phenyl-N-(2-pyridinyl)imidazo[1,2-a]pyridin-3-am...)
Show SMILES N(c1c(nc2ccccn12)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C18H14N4/c1-2-8-14(9-3-1)20-18-17(15-10-4-6-12-19-15)21-16-11-5-7-13-22(16)18/h1-13,20H
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Article
PubMed
n/an/a 1.85E+4n/an/an/an/an/an/a



Federal University of Rio de Janeiro

Curated by ChEMBL


Assay Description
Inhibition of PGHS2 in human whole blood assessed as inhibition of TXB2 production by radioimmunoassay


Bioorg Med Chem 17: 74-84 (2008)


Article DOI: 10.1016/j.bmc.2008.11.018
BindingDB Entry DOI: 10.7270/Q2TQ61DC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%