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BDBM50313216 4-Hydroxy-7-methoxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e][1,2]thiazine-3-carboxylic acid(3',4'-dichloro-biphenyl-4-yl)-amide::CHEMBL1081034

SMILES: COc1ccc2C(O)=C(NS(=O)(=O)c2c1)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=MNXKWBLIHKJFDO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50313216   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50313216
PNG
(4-Hydroxy-7-methoxy-1,1-dioxo-1,2-dihydro-1lambda*...)
Show SMILES COc1ccc2C(O)=C(NS(=O)(=O)c2c1)C(=O)Nc1ccc(cc1)-c1ccc(Cl)c(Cl)c1 |c:7|
Show InChI InChI=1S/C22H16Cl2N2O5S/c1-31-15-7-8-16-19(11-15)32(29,30)26-20(21(16)27)22(28)25-14-5-2-12(3-6-14)13-4-9-17(23)18(24)10-13/h2-11,26-27H,1H3,(H,25,28)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 3.05E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human mPGES1 assessed as PGE2 level after 41 sec by ELISA


Bioorg Med Chem Lett 20: 1604-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.060
BindingDB Entry DOI: 10.7270/Q25X292V
More data for this
Ligand-Target Pair