BS-181

Ligand id: 9405

Name: BS-181

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 80.27
Molecular weight 380.27
XLogP 5.17
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
BS-181 is >40-fold selective for CDK7 compared to CDK1, 2, 4, 5, 6, or 9 [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
cyclin dependent kinase 7 Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 2.1x10-8 M) [1]
Description: Evaluated using purified recombinant CDK7/CycH/MAT1 complex and measuring free ATP remaining in the reaction using a luciferase assay.
cyclin dependent kinase 2 Inhibitor Inhibition 6.1 pIC50 - 1
pIC50 6.1 (IC50 8.8x10-7 M) [1]
Description: Evaluated using purified recombinant CDK2/cycE complex and measuring free ATP remaining in the reaction using a luciferase assay.