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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 = 'BDBM50495264'   
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


(Mus musculus (Mouse))		BDBM50495264
PNG
(CHEMBL3104557)
Show SMILES Cc1c(CC(=O)NCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O6S/c1-16-18(15-23(28)25-12-3-13-33-27(29)30)14-22(26(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)34(2,31)32/h4-11,14H,3,12-13,15H2,1-2H3,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



Universit£ degli Studi di Roma "La Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced COX-2 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of prostaglandin E2 production preincu...

Bioorg Med Chem 22: 772-86 (2014)


Article DOI: 10.1016/j.bmc.2013.12.008
BindingDB Entry DOI: 10.7270/Q2K0777K
More data for this
Ligand-Target Pair