Table 2.

SAR for CB29-based compounds. (A) SAR study for analogs having aniline at R3 position but with ortho, meta and para substitutions at various positions (R4, R5, R6, R7 and R8). Also included are compounds with substitutions at R1 and R3 positions. Two dimensional figures are generated using ChemBioDraw Ultra 12.0. Values in parentheses are S.D. for three independent assays. NI stands for no inhibition at 100 μM inhibitor concentration. WA represents (30-50) % activation shown by 100 μM compound to respective enzymes. Shaded in yellow are the residues of ALDH3A1 that are in close proximity of CB29. None of the listed analogs, except compound 13, showed inhibition (<5%) to ALDH1A2, ALDH1A3 or ALDH1B1 up to 100 μM concentration.