Ki Summary

Reaction Details

Report a problem with these data

Target

Prostaglandin E synthase

Ligand

BDBM50194141

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1616435 (CHEMBL3858504)

IC50

2.0±n/a nM

Citation

Kuklish, SL; Antonysamy, S; Bhattachar, SN; Chandrasekhar, S; Fisher, MJ; Fretland, AJ; Gooding, K; Harvey, A; Hughes, NE; Luz, JG; Manninen, PR; McGee, JE; Navarro, A; Norman, BH; Partridge, KM; Quimby, SJ; Schiffler, MA; Sloan, AV; Warshawsky, AM; York, JS; Yu, XP Characterization of 3,3-dimethyl substituted N-aryl piperidines as potent microsomal prostaglandin E synthase-1 inhibitors. Bioorg Med Chem Lett26:4824-4828 (2016) [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

BDBM50194141

n/a

Name

BDBM50194141

Synonyms:

CHEMBL3938686

Type

Small organic molecule

Emp. Form.

C25H35N3O2

Mol. Mass.

409.5643

SMILES

Cc1cccc2ccc(nc12)N1CC[C@H](C(=O)N[C@@H]2CC[C@H](CO)CC2)C(C)(C)C1 |r,wU:14.16,18.19,21.23,(40.97,-19.87,;39.64,-20.64,;39.65,-22.18,;38.31,-22.96,;36.97,-22.19,;36.97,-20.65,;35.63,-19.88,;35.63,-18.35,;36.97,-17.58,;38.3,-18.34,;38.3,-19.88,;36.97,-16.05,;38.3,-15.28,;38.3,-13.74,;36.97,-12.97,;36.97,-11.43,;38.3,-10.66,;35.63,-10.66,;35.63,-9.12,;36.97,-8.34,;36.98,-6.81,;35.65,-6.03,;35.65,-4.49,;36.99,-3.72,;34.31,-6.8,;34.3,-8.34,;35.64,-13.74,;34.14,-14.14,;34.55,-12.65,;35.64,-15.28,)|

Structure