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 2(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL

LigandBDBM50052024(CHEMBL787 | montelukast)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293T cells assessed as inhibition of LTC4-induced effect preincubated for 30 mins prior to LTC4 a...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseChEBI
CHEMBLDrugBankKEGGPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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