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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50528374'   
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 2


(Ovis aries (Sheep))
BDBM50528374
PNG
(CHEMBL4556386)
Show SMILES [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2ccc(O)c(OC)c2)OC[C@](O)(COC(=O)c2ccc(O)c(O)c2)[C@H]1O |r|
Show InChI InChI=1S/C25H30O15/c1-35-16-7-12(3-5-14(16)28)38-23-20(19(31)18(30)17(8-26)39-23)40-24-21(32)25(34,10-37-24)9-36-22(33)11-2-4-13(27)15(29)6-11/h2-7,17-21,23-24,26-32,34H,8-10H2,1H3/t17-,18-,19+,20-,21+,23-,24+,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.92E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of recombinant ovine COX2 using arachidonic acid as substrate preincubated for 15 mins followed by arachidonic acid addition measured afte...


Eur J Med Chem 179: 272-309 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.034
BindingDB Entry DOI: 10.7270/Q2FX7DXP
More data for this
Ligand-Target Pair