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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1' and Monomerid = 50057917   
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-1 (COX-1)


(Homo sapiens (Human))
BDBM50057917
PNG
(1-(4-Methanesulfonyl-phenyl)-2-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-c1nc(cn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O3S/c1-26-14-7-3-12(4-8-14)17-22-16(18(19,20)21)11-23(17)13-5-9-15(10-6-13)27(2,24)25/h3-11H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
Concentration required to inhibit human prostaglandin G/H synthase 1 (COX-1) by 50%


J Med Chem 40: 1634-47 (1997)


Article DOI: 10.1021/jm9700225
BindingDB Entry DOI: 10.7270/Q2F76BN0
More data for this
Ligand-Target Pair