BindingDB logo
myBDB logout

PubMed code 23284082

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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 E synthase


(Homo sapiens (Human))
BDBM50088508
PNG
(CHEMBL3526978)
Show SMILES COc1cc(ccc1C#CC1CC1)C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C19H18N2O6S2/c1-27-16-12-15(11-10-14(16)9-8-13-6-7-13)19(22)21-29(25,26)18-5-3-2-4-17(18)28(20,23)24/h2-5,10-13H,6-7H2,1H3,(H,21,22)(H2,20,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 by whole blood assay


Drug Metab Dispos 41: 634-41 (2013)

More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50088509
PNG
(CHEMBL3527201)
Show SMILES CC(C)C#Cc1ccc(cc1OCCC(F)(F)F)C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C21H21F3N2O6S2/c1-14(2)7-8-15-9-10-16(13-17(15)32-12-11-21(22,23)24)20(27)26-34(30,31)19-6-4-3-5-18(19)33(25,28)29/h3-6,9-10,13-14H,11-12H2,1-2H3,(H,26,27)(H2,25,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 by whole blood assay


Drug Metab Dispos 41: 634-41 (2013)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%