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SMILES: CC1CN(C(=N1)c1ccc(F)cc1)c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=PFAKPKBQEIPMNO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50049891   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50049891
PNG
(CHEMBL3322409)
Show SMILES CC1CN(C(=N1)c1ccc(F)cc1)c1ccc(cc1)S(N)(=O)=O |c:4|
Show InChI InChI=1S/C16H16FN3O2S/c1-11-10-20(14-6-8-15(9-7-14)23(18,21)22)16(19-11)12-2-4-13(17)5-3-12/h2-9,11H,10H2,1H3,(H2,18,21,22)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 using fluorometric substrate by fluorescent inhibitor screening assay

Eur J Med Chem 84: 160-72 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.023
BindingDB Entry DOI: 10.7270/Q2WQ05FT
More data for this
Ligand-Target Pair