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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50075551   
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))
BDBM50075551
PNG
(3-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-[1,2,4]thia...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1nc(=O)s[nH]1
Show InChI InChI=1S/C16H22N2O2S/c1-15(2,3)10-7-9(13-17-14(20)21-18-13)8-11(12(10)19)16(4,5)6/h7-8,19H,1-6H3,(H,17,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line


J Med Chem 42: 1161-9 (1999)


Article DOI: 10.1021/jm980570y
BindingDB Entry DOI: 10.7270/Q2154G6N
More data for this
Ligand-Target Pair