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   

TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50052024(CHEMBL787 | montelukast)
Affinity DataKi:  6.54E+3nMAssay Description:Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed