BDBM50581714 CHEMBL5092617

SMILES COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5

InChI Key InChIKey=IOKQAXDJAARNRZ-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50581714   

TargetDual specificity protein kinase TTK(Human)
Yonsei University

Curated by ChEMBL
LigandPNGBDBM50581714(CHEMBL5092617)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of human hexa-His tagged MPS1 (515 to 795 residue) expressed in Escherichia coli BL2I-DE3 cells incubated for 4 hrs in presence of ATP by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)