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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM60918'   
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))
BDBM60918
PNG
(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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DrugBank
MCE
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



St. Bartholomew's and the Royal London School of Medicine and Dentistry

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 96: 7563-8 (1999)


Article DOI: 10.1073/pnas.96.13.7563
BindingDB Entry DOI: 10.7270/Q21G0JT4
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM60918
PNG
(5-Amino-2-hydroxy-benzoic acid | MESALAMINE | MLS0...)
Show SMILES Nc1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
n/an/a 7.53E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 using arachidonic acid as substrate pretreated for 5 mins followed by substrate addition and measured after 2 mi...


Eur J Med Chem 180: 86-98 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.016
BindingDB Entry DOI: 10.7270/Q2T43XHG
More data for this
Ligand-Target Pair