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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2 (COX-2)' and Ligand = 'BDBM50173290'   
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
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50173290
PNG
(4-[5-(2-Fluoro-ethyl)-3-phenyl-isoxazol-4-yl]-benz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CCF)onc1-c1ccccc1
Show InChI InChI=1S/C17H15FN2O3S/c18-11-10-15-16(12-6-8-14(9-7-12)24(19,21)22)17(20-23-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,19,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages


Bioorg Med Chem Lett 15: 4699-702 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.065
BindingDB Entry DOI: 10.7270/Q2H131KS
More data for this
Ligand-Target Pair