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BDBM50270616 7-hydroxy-N1,N3-dimesitylnaphthalene-1,3-disulfonamide::CHEMBL486903

SMILES: Cc1cc(C)c(NS(=O)(=O)c2cc(c3cc(O)ccc3c2)S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1

InChI Key: InChIKey=KTJZLVJCEOSQTP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50270616   
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))
BDBM50270616
PNG
(7-hydroxy-N1,N3-dimesitylnaphthalene-1,3-disulfona...)
Show SMILES Cc1cc(C)c(NS(=O)(=O)c2cc(c3cc(O)ccc3c2)S(=O)(=O)Nc2c(C)cc(C)cc2C)c(C)c1
Show InChI InChI=1S/C28H30N2O5S2/c1-16-9-18(3)27(19(4)10-16)29-36(32,33)24-13-22-7-8-23(31)14-25(22)26(15-24)37(34,35)30-28-20(5)11-17(2)12-21(28)6/h7-15,29-31H,1-6H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Inc. St. Louis Laboratory

Curated by ChEMBL


Assay Description
Inhibition of mPGES1


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