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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052024   

TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50052024(CHEMBL787 | montelukast)
Affinity DataIC50:  0.5nMAssay Description:Compound were tested for inhibitory activity against Cysteinyl leukotriene D4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank