BDBM50072833 CHEMBL3410060::US11208696, Example 2

SMILES CC(C)CNc1nccn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1

InChI Key InChIKey=QTOFVYOMOKYCEQ-UHFFFAOYSA-N

Data  7 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50072833   

TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50072833(CHEMBL3410060 | US11208696, Example 2)
Affinity DataIC50:  55nMAssay Description:Inhibition of Mps1 (unknown origin)-mediated p38 MAPK phosphorylation after 90 mins by DELFIA assayMore data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50072833(CHEMBL3410060 | US11208696, Example 2)
Affinity DataIC50:  14nMAssay Description:Inhibition of human TTKMore data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50072833(CHEMBL3410060 | US11208696, Example 2)
Affinity DataIC50:  1.40nMAssay Description:Inhibition of MPS1 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50072833(CHEMBL3410060 | US11208696, Example 2)
Affinity DataIC50:  4.10nMAssay Description:The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50072833(CHEMBL3410060 | US11208696, Example 2)
Affinity DataIC50:  230nMAssay 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
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50072833(CHEMBL3410060 | US11208696, Example 2)
Affinity DataIC50:  670nMAssay 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
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50072833(CHEMBL3410060 | US11208696, Example 2)
Affinity DataIC50:  10nMAssay 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