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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for entry = 50032853   
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
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



Aristotelian University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of COX1


Eur J Med Chem 46: 191-200 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.035
BindingDB Entry DOI: 10.7270/Q2XD11ZG
More data for this
Ligand-Target Pair