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BDBM50294198 2-(6-(4-chlorophenyl)-2,2-diethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)-N-(methylsulfonyl)acetamide::CHEMBL560898

SMILES: CCC1(CC)Cc2c(c(c(CC(=O)NS(C)(=O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1

InChI Key: InChIKey=CVXUNMJWDZEXJI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50294198   
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))
BDBM50294198
PNG
(2-(6-(4-chlorophenyl)-2,2-diethyl-7-phenyl-2,3-dih...)
Show SMILES CCC1(CC)Cc2c(c(c(CC(=O)NS(C)(=O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C26H29ClN2O3S/c1-4-26(5-2)16-22-25(18-9-7-6-8-10-18)24(19-11-13-20(27)14-12-19)21(29(22)17-26)15-23(30)28-33(3,31)32/h6-14H,4-5,15-17H2,1-3H3,(H,28,30)
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MMDB

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Similars

Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Eberhard Karls University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta treated human A549 cell microsomal membrane assessed as residual enzyme activity after 1 min by measuring PGE2 level...


J Med Chem 52: 4968-72 (2009)


Article DOI: 10.1021/jm900481c
BindingDB Entry DOI: 10.7270/Q29C6XGX
More data for this
Ligand-Target Pair