BDBM50519582 CHEMBL4525972

SMILES COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5

InChI Key InChIKey=QYPOYXFLLPVCEL-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50519582   

TargetLeukotriene C4 synthase(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519582(CHEMBL4525972)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of human N-terminal His6-tagged LTC4S expressed in Pichia pastoris X33 using LTA4 methyl ester and glutathione as substrate preincubated f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)