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BDBM50088508 CHEMBL3526978

SMILES: COc1cc(ccc1C#CC1CC1)C(=O)NS(=O)(=O)c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=KFWMCPHFJZDJRJ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50088508   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
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

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B.MOAD
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Glenmark Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human mPGES-1 expressed in Sf9 insect cells assessed as reduction in conversion of PGH2 to PGE2 preincubated for 15 mins followed by su...


Bioorg Med Chem Lett 26: 5977-5984 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.079
BindingDB Entry DOI: 10.7270/Q2XK8HJ8
More data for this
Ligand-Target Pair
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
CHEMBL
PC cid
PC sid
UniChem

Similars

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)


Article DOI: 10.1124/dmd.112.048983
BindingDB Entry DOI: 10.7270/Q2JM2CC1
More data for this
Ligand-Target Pair