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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 = 'BDBM50542437'   
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))
BDBM50542437
PNG
(CHEMBL4641093)
Show SMILES CC(C)c1ccc(\C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C28H25NO/c1-19(2)22-16-13-21(14-17-22)15-18-26(30)27-20(3)29-25-12-8-7-11-24(25)28(27)23-9-5-4-6-10-23/h4-19H,1-3H3/b18-15+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.14E+3n/an/an/an/an/an/a



China-Japan Union Hospital of Jilin University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by ELISA


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127173
BindingDB Entry DOI: 10.7270/Q2D79FZ3
More data for this
Ligand-Target Pair