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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 = 'BDBM50495261'   
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))		BDBM50495261
PNG
(CHEMBL3104550)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C(N)C(=O)NCCCO[N+]([O-])=O
Show InChI InChI=1S/C23H25FN4O6S/c1-15-20(22(25)23(29)26-11-4-12-34-28(30)31)14-21(27(15)18-6-3-5-17(24)13-18)16-7-9-19(10-8-16)35(2,32)33/h3,5-10,13-14,22H,4,11-12,25H2,1-2H3,(H,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/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