BDBM50653004 CHEMBL5712053

SMILES Cc1cccn2cc(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(C#N)c4)cc3)nc12

InChI Key

  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 4 hits for monomerid = 50653004   

TargetCentromere-associated protein E(Human)
Cytokinetics Inc

Curated by ChEMBL
LigandPNGBDBM50653004(CHEMBL5712053)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of microtubule-stimulated ATPase activity of C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expressed in Escherichia c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCentromere-associated protein E(Human)
Cytokinetics Inc

Curated by ChEMBL
LigandPNGBDBM50653004(CHEMBL5712053)
Affinity DataKi:  4.20nMAssay Description:Uncompetitive-like binding affinity to C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) ass...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCentromere-associated protein E(Human)
Cytokinetics Inc

Curated by ChEMBL
LigandPNGBDBM50653004(CHEMBL5712053)
Affinity DataKi:  4.70nMAssay Description:Uncompetitive binding affinity to microtubule-stimulated ATPase activity of C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCentromere-associated protein E(Human)
Cytokinetics Inc

Curated by ChEMBL
LigandPNGBDBM50653004(CHEMBL5712053)
Affinity DataIC50: 7.37E+3nMAssay Description:Inhibition of ATPase activity of C-terminal 6-his-tagged CENP-E (2 to 340 residues)(unknown origin) expressed in Escherichia coli BL21(DE3) in presen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed