BDBM50433906 CHEMBL2380583

SMILES CCOc1cc2c(n[nH]c2cc1-c1cnn(C)c1)-c1ccc(C)c(c1)S(N)(=O)=O

InChI Key InChIKey=CITPEYUXGCJVRV-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50433906   

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

Curated by ChEMBL
LigandPNGBDBM50433906(CHEMBL2380583)
Affinity DataIC50:  3.70nMAssay Description:Inhibition of MPS1 (unknown origin) using biotin-labeled AGAGLARHTDDEMTGYVA as substrate after 90 mins by DELFIAMore data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50433906(CHEMBL2380583)
Affinity DataIC50:  198nMAssay Description:Inhibition of FLAG-tagged MPS1 phosphorylation in human RERF-LC-AI Tet-off cells after 3 hrsMore data for this Ligand-Target Pair