BDBM50519568 CHEMBL4549822

SMILES COc1nc(cnc1C(=O)[C@H]1C[C@@H]1C(O)=O)N(CC(C)C)c1cc(Cl)c(F)cc1F

InChI Key InChIKey=XLQGLFDBRLFIHA-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50519568   

TargetLeukotriene C4 synthase(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519568(CHEMBL4549822)
Affinity DataIC50: 0.280nMAssay 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
PubMed
TargetLeukotriene C4 synthase(Human)
Orexo

Curated by ChEMBL
LigandPNGBDBM50519568(CHEMBL4549822)
Affinity DataIC50: 4.10nMAssay Description:Inhibition of LTC4S in zymosan-stimulated human PBMC assessed as inhibition of LTC4 production preincubated for 45 mins followed by zymosan stimulati...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed