Reaction Details
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Target
Prostaglandin E synthase
Ligand
BDBM50168761
Substrate
n/a
Meas. Tech.
ChEMBL_571973 (CHEMBL1036476)
IC50
12±n/a nM
Citation
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More Info.:
Target
Name:
Prostaglandin E synthase
Synonyms:
MGST1L1 | MPGES1 | PGES | PIG12 | PTGES | PTGES_HUMAN | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin E2 synthase-1 ( mPGES-1)
Type:
Protein
Mol. Mass.:
17112.22
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
152
Sequence:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCRSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGKLRAPIRSVTYTLAQLPCASMALQILWEAARHL
Inhibitor
Name:
BDBM50168761
Synonyms:
3-(1-(4-chlorobenzyl)-5-(2-fluorobiphenyl-4-yl)-3-methyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-[1-(4-Chloro-benzyl)-5-(2-fluoro-biphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid | CHEMBL182032
Type:
Small organic molecule
Emp. Form.:
C33H29ClFNO2
Mol. Mass.:
526.04
SMILES:
Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1