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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50052024   

TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL

LigandBDBM50052024(CHEMBL787 | montelukast)Copy SMILESCopy InChI

Affinity DataEC50:  72nMAssay Description:Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseChEBI
CHEMBLDrugBankKEGGPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedDrugBank

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