BDBM50512458 CHEMBL4450240

SMILES Cc1nc(ccc1Nc1nc(NC2CCOCC2)c2c(c[nH]c2n1)C#N)N1CCOCC1

InChI Key InChIKey=BXNPMKUGMSFVIC-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50512458   

TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM50512458(CHEMBL4450240)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of MPS1 (510 to 857 residues) catalytic domain (unknown origin) expressed in Escherichia coli after 15 mins by mass-spectrometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM50512458(CHEMBL4450240)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of MPS1 in human MDA-MB-468 cells assessed as decrease in phosphorylation of histone H3 at Ser10 incubated for 2 hrs in presence of PF-277...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetDual specificity protein kinase TTK(Human)
Jilin University

Curated by ChEMBL
LigandPNGBDBM50512458(CHEMBL4450240)
Affinity DataKi: <0.5nMAssay Description:Inhibition of MPS1 (510 to 857 residues) catalytic domain (unknown origin) expressed in Escherichia coli after 15 mins by mass-spectrometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed