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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1' and Monomerid = 50057545   
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))
BDBM50057545
PNG
(4-[5-(4-Fluoro-phenyl)-4-propyl-3-trifluoromethyl-...)
Show SMILES CCCc1c(nn(c1-c1ccc(F)cc1)-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C19H17F4N3O2S/c1-2-3-16-17(12-4-6-13(20)7-5-12)26(25-18(16)19(21,22)23)14-8-10-15(11-9-14)29(24,27)28/h4-11H,2-3H2,1H3,(H2,24,27,28)
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Searle Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to block recombinant human prostaglandin G/H synthase 1 (COX-1)


J Med Chem 40: 1347-65 (1997)


Article DOI: 10.1021/jm960803q
BindingDB Entry DOI: 10.7270/Q2Z89BHB
More data for this
Ligand-Target Pair