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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 1' and Ligand = 'BDBM50317917'   
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 1


(Ovis aries (Sheep))
BDBM50317917
PNG
((2S*,4R*,6S*)-2-((Ethylthio)methyl)tetrahydro-6-me...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@H](C)O1)c1ccccc1 |r|
Show InChI InChI=1S/C15H22O2S/c1-3-18-11-14-10-15(16,9-12(2)17-14)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3/t12-,14-,15+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 347n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair