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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 = 'BDBM50422575'   
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))
BDBM50422575
PNG
(CHEMBL133659)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C22H16O4S/c1-27(24,25)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)26-22/h2-14H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.33E+5n/an/an/an/an/an/a



Devi Ahilya Vishwavidyalaya

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 2 from mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 4005-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.059
BindingDB Entry DOI: 10.7270/Q2C24XQT
More data for this
Ligand-Target Pair