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SMILES: CCOC(=O)c1c(Cc2cccc(Cl)c2)n(-c2ccc(cc2)-c2ccccc2)c2ccc(O)cc12

InChI Key: InChIKey=AQLIJDZJAUVNPS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50304664   
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))
BDBM50304664
PNG
(CHEMBL605093 | ethyl 1-(biphenyl-4-yl)-2-(3-chloro...)
Show SMILES CCOC(=O)c1c(Cc2cccc(Cl)c2)n(-c2ccc(cc2)-c2ccccc2)c2ccc(O)cc12
Show InChI InChI=1S/C30H24ClNO3/c1-2-35-30(34)29-26-19-25(33)15-16-27(26)32(28(29)18-20-7-6-10-23(31)17-20)24-13-11-22(12-14-24)21-8-4-3-5-9-21/h3-17,19,33H,2,18H2,1H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL1beta induced human A549 cell microsomal membrane assessed as blockade of conversion of PGH2 to PGE2


Bioorg Med Chem 17: 7924-32 (2009)


Article DOI: 10.1016/j.bmc.2009.10.025
BindingDB Entry DOI: 10.7270/Q25T3KK7
More data for this
Ligand-Target Pair