BDBM50052024 CHEMBL787::montelukast

SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1

InChI Key InChIKey=UCHDWCPVSPXUMX-TZIWLTJVSA-N

Data  3 KI  12 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 1 hit for monomerid = 50052024   

TargetLeukotriene C4 synthase(Homo sapiens (Human))
Orexo

Curated by ChEMBL
LigandPNGBDBM50052024(CHEMBL787 | montelukast)
Affinity DataIC50: <5.00E+3nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged LTC4S expressed in in Pichia pastoris X33 assessed as inhibition of EXC4 formation using EXA4 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed