Reaction Details
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Target
Prostaglandin E synthase
Ligand
BDBM50343539
Substrate
n/a
Meas. Tech.
ChEMBL_746975 (CHEMBL1777341)
IC50
70±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:
BDBM50343539
Synonyms:
5-(4-tert-butylbenzyl)-3-(4-isopropoxyphenyl)-1-(4-(isopropylamino)phenyl)-1H-indole-2-carboxylic acid | CHEMBL453202
Type:
Small organic molecule
Emp. Form.:
C38H42N2O3
Mol. Mass.:
574.7517
SMILES:
CC(C)Nc1ccc(cc1)-n1c(C(O)=O)c(-c2ccc(OC(C)C)cc2)c2cc(Cc3ccc(cc3)C(C)(C)C)ccc12