Ki Summary

Reaction Details

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Target

Prostaglandin E synthase

Ligand

BDBM50425318

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_964545 (CHEMBL2393812)

IC50

36±n/a nM

Citation

Arhancet, GB; Walker, DP; Metz, S; Fobian, YM; Heasley, SE; Carter, JS; Springer, JR; Jones, DE; Hayes, MJ; Shaffer, AF; Jerome, GM; Baratta, MT; Zweifel, B; Moore, WM; Masferrer, JL; Vazquez, ML Discovery and SAR of PF-4693627, a potent, selective and orally bioavailable mPGES-1 inhibitor for the potential treatment of inflammation. Bioorg Med Chem Lett23:1114-9 (2013) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Prostaglandin E synthase

Name:

Prostaglandin E synthase

Synonyms:

Type:

Protein

Mol. Mass.:

17112.22

Organism:

Homo sapiens (Human)

Description:

n/a

Residue:

152

Sequence:

MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCR
SDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGK
LRAPIRSVTYTLAQLPCASMALQILWEAARHL

BDBM50425318

n/a

Name

BDBM50425318

Synonyms:

CHEMBL2315861

Type

Small organic molecule

Emp. Form.

C20H26ClN3O3

Mol. Mass.

391.892

SMILES

OC[C@H]1CC[C@H](CC1)NC(=O)C1CCN(CC1)c1nc2cc(Cl)ccc2o1 |r,wD:5.8,2.1,(21.18,-14.42,;20.41,-13.09,;18.87,-13.08,;18.1,-11.75,;16.56,-11.75,;15.8,-13.08,;16.57,-14.42,;18.1,-14.42,;14.27,-13.08,;13.49,-11.75,;14.26,-10.42,;11.95,-11.75,;11.18,-13.09,;9.65,-13.09,;8.88,-11.77,;9.63,-10.43,;11.18,-10.42,;7.34,-11.77,;6.44,-13.03,;4.97,-12.56,;3.63,-13.34,;2.3,-12.57,;.96,-13.34,;2.3,-11.02,;3.63,-10.25,;4.96,-11.02,;6.43,-10.53,)|

Structure