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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2 (COX-2)' and Ligand = 'BDBM173510'   
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)


(Homo sapiens (Human))
BDBM173510
PNG
(3-(4-Fluorophenyl)-1-(4-Methanesulfonylphenyl)-5-(...)
Show SMILES CS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C23H18F4N2O2S/c1-32(30,31)20-12-10-19(11-13-20)29-22(16-2-6-17(7-3-16)23(25,26)27)14-21(28-29)15-4-8-18(24)9-5-15/h2-13,22H,14H2,1H3
PDB

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The ability of the test compounds to inhibit ovine COX01 and human recombinant COX-2 was determined using an enzyme immuno assay (EIA) kit according ...


Bioorg Chem 63: 13-23 (2015)


Article DOI: 10.1016/j.bioorg.2015.09.002
BindingDB Entry DOI: 10.7270/Q28G8JGV
More data for this
Ligand-Target Pair