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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50106762'   
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 2


(Homo sapiens (Human))
BDBM50106762
PNG
(CHEMBL3601277)
Show SMILES Cc1ccc(cc1)-c1c(Cl)c(CCl)nn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H15Cl2N3O2S/c1-11-2-4-12(5-3-11)17-16(19)15(10-18)21-22(17)13-6-8-14(9-7-13)25(20,23)24/h2-9H,10H2,1H3,(H2,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Technische Universitat Dresden

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX-2 assessed as reduction of prostaglandin-G2 to prostaglandin-H2 and oxidation of 10-acetyl-3,7-dihydroxyphenoxazi...


Bioorg Med Chem Lett 25: 3295-300 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.059
BindingDB Entry DOI: 10.7270/Q23N2555
More data for this
Ligand-Target Pair