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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 = 'BDBM50035988'   
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))
BDBM50035988
PNG
(CHEMBL3338728)
Show SMILES COc1ccc(cc1)-c1nn(cc1\C=N/N=C1/SCC(=O)N1c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C26H21N5O2S/c1-33-23-14-12-19(13-15-23)25-20(17-30(29-25)21-8-4-2-5-9-21)16-27-28-26-31(24(32)18-34-26)22-10-6-3-7-11-22/h2-17H,18H2,1H3/b27-16-,28-26+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.23E+4n/an/an/an/an/an/a



KLE University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem Lett 24: 5324-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.08.062
BindingDB Entry DOI: 10.7270/Q2X92CXH
More data for this
Ligand-Target Pair