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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50303145   
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))
BDBM50303145
PNG
(2'-epi-guianin | CHEMBL570978)
Show SMILES C[C@@H]1[C@H](C2[C@H](O)[C@@]1(CC=C)C=C(CC=C)C2=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H24O4/c1-4-6-15-11-22(9-5-2)13(3)18(19(20(15)23)21(22)24)14-7-8-16-17(10-14)26-12-25-16/h4-5,7-8,10-11,13,18-19,21,24H,1-2,6,9,12H2,3H3/t13-,18+,19?,21+,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.26E+5n/an/an/an/an/an/a



Universidad Nacional de Colombia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 assessed as inhibition of transformation of AA to PGH2 by EIA


Bioorg Med Chem Lett 19: 6922-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.069
BindingDB Entry DOI: 10.7270/Q2J1043X
More data for this
Ligand-Target Pair