BDBM50542585 CHEMBL4633800

SMILES CC(C)CNc1nc(nn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1

InChI Key InChIKey=JJRQWDYTBOLVKS-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50542585   

TargetDual specificity protein kinase TTK(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50542585(CHEMBL4633800)
Affinity DataIC50: 37nMAssay Description:Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50542585(CHEMBL4633800)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of MPS1 in human HeLa cells assessed as reduction in spindle assembly checkpoint incubated for 4 hrs by p-histone H3/Hoechst 33342 stainin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Bayer

Curated by ChEMBL
LigandPNGBDBM50542585(CHEMBL4633800)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of GST-tagged recombinant human MPS1 expressed in baculovirus expression system using biotin-Ahx-PWDPDDADITEILG as substrate preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed