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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50315284   
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 (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50315284
PNG
(CHEMBL1089510 | aR-6,7-Dihydro-6-(10-hydroxyethyl)...)
Show SMILES CC(O)C1(C)Cc2cc(O)c(O)c(O)c2-c2c(C1)cc(O)c(O)c2O
Show InChI InChI=1S/C18H20O7/c1-7(19)18(2)5-8-3-10(20)14(22)16(24)12(8)13-9(6-18)4-11(21)15(23)17(13)25/h3-4,7,19-25H,5-6H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.21E+4n/an/an/an/an/an/a



University of Graz

Curated by ChEMBL


Assay Description
Inhibition of sheep placental cotyledens COX2 assessed as PGE2 level by EIA


Bioorg Med Chem 18: 2809-15 (2010)


Article DOI: 10.1016/j.bmc.2009.10.031
BindingDB Entry DOI: 10.7270/Q2MG7PNG
More data for this
Ligand-Target Pair