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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50090634'   
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))
BDBM50090634
PNG
(3-(4-Fluoro-phenyl)-1-(2-fluoro-phenyl)-4-(4-metha...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)N(C1)c1ccccc1F)c1ccc(F)cc1 |t:11|
Show InChI InChI=1S/C23H17F2NO3S/c1-30(28,29)18-12-8-15(9-13-18)19-14-26(21-5-3-2-4-20(21)25)23(27)22(19)16-6-10-17(24)11-7-16/h2-13H,14H2,1H3
PDB
MMDB

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PC cid
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Patents


Similars

PubMed
n/an/a 320n/an/an/an/an/an/a



University of Barcelona

Curated by ChEMBL


Assay Description
Biochemical index for Prostaglandin G/H synthase 2 measured as, PGE-2 levels in lipopolysaccharide (LPS)-challenged human whole blood


Bioorg Med Chem Lett 10: 1745-8 (2000)


BindingDB Entry DOI: 10.7270/Q2ZG6RH7
More data for this
Ligand-Target Pair