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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1 (COX-1)' and Ligand = 'BDBM50172479'   
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))
BDBM50172479
PNG
((S)-FLURBIPROFEN | CHEMBL435298)
Show SMILES C[C@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m0/s1
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Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood


Bioorg Med Chem Lett 16: 2219-23 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.033
BindingDB Entry DOI: 10.7270/Q2M32VC8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)