Table 3. pIC50 Values, Ligand Efficiencies, clogP Values, and Lipophilic Ligand Efficiencies for Compounds 3, (+)-8, and 9.
compd | BRD4(1)a IC50 (μM) | pIC50 | ligand efficiency | clogP b | lipophilic ligand efficiency |
---|---|---|---|---|---|
3 | 4.80 | 5.32 | 0.39 | 2.2 | 3.12 |
(S)-(+)-8 | 0.382 | 6.42 | 0.41 | 2.5 | 3.92 |
9 | 0.371 | 6.43 | 0.36 | 2.6 | 3.83 |
Protein and peptide concentration: 50 nM.
clogP was calculated using ACD/Labs (algorithm version 5.0.0.184).