BDBM50569986 CHEMBL4853433

SMILES CCC(=O)N[C@H]1CC[C@@H](n2c(=O)cc(C3CC3)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)CC1

InChI Key InChIKey=FSIGWVYXPSSUJD-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  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 = 50569986   

TargetDual specificity protein kinase TTK(Human)
Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50569986BDBM50569986(CHEMBL4853433)
Affinity DataKd:  7.90nMAssay Description:Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetDual specificity protein kinase TTK(Human)
Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50569986BDBM50569986(CHEMBL4853433)
Affinity DataIC50: 50nMAssay Description:Inhibition of recombinant full-length human TTK using MBP as substrate incubated for 40 mins in presence of [gamma33P]ATP by scintillation counting b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed