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SMILES: CSc1ccc(cc1)C1=C(C(=O)OC1=O)c1ccc(NC(C)=O)cc1

InChI Key: InChIKey=NCSJZFZCTVLTID-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50305805   
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))		BDBM50305805
PNG
(CHEMBL595852 | N-(4-(4-(4-(methylthio)phenyl)-2,5-...)
Show SMILES CSc1ccc(cc1)C1=C(C(=O)OC1=O)c1ccc(NC(C)=O)cc1 |t:9|
Show InChI InChI=1S/C19H15NO4S/c1-11(21)20-14-7-3-12(4-8-14)16-17(19(23)24-18(16)22)13-5-9-15(25-2)10-6-13/h3-10H,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.01E+4n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX2 assessed as PGF2alpha level by EIA

Bioorg Med Chem Lett 20: 734-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.067
BindingDB Entry DOI: 10.7270/Q2Z31ZQQ
More data for this
Ligand-Target Pair