Basic Information
ID: ALA3887786
Type: Binding
Description: Inhibition Assay: Attention was focused on exploring, in turn, the SAR around the phenyl ring A, branching and substitution at the benzylic position, urea linkage of 1aa, without varying the [4-(4-pyridinyl)-2-thiazolyl] terminus (FIG. 4). The [4-(4-pyridinyl)-2-thiazolyl] group was believed to act as a hinge-binding moiety with the nitrogen of the pyridyl H-bonding to the back bone NH of the hinge Met156, as seen in the crystal complex of ROCK1 with Fasudil (PDB ID 2ESM) (Jacobs, et al., The structure of dimeric ROCK I reveals the mechanism for ligand selectivity, J Biol Chem, 2006, 281:260-8).All compounds were systematically screened against ROCK1 and ROCK2. IC50 values were systematically determined only for compounds that inhibit 40% of ROCK1 kinase activities at 50 μM.
Organism: Homo sapiens
Activity Charts
Bioactivity
Activity Types for Assay ALA3887786
IC50
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 310.38 | 3.53 | 3.53 |
| 340.41 | 3.54 | 3.54 |
| 340.41 | 3.54 | 3.54 |
| 340.41 | 3.54 | 3.54 |
| 325.40 | 3.11 | 3.11 |
| 349.42 | 4.01 | 4.01 |
| 326.38 | 3.23 | 3.23 |
| 326.38 | 3.23 | 3.23 |
| 326.38 | 3.23 | 3.23 |
| 368.42 | 3.02 | 3.02 |
| 403.49 | 2.90 | 2.90 |
| 367.43 | 3.49 | 3.49 |
| 384.46 | 3.55 | 3.55 |
| 354.44 | 3.93 | 3.93 |
| 368.46 | 4.32 | 4.32 |
| 368.46 | 4.31 | 4.31 |
| 328.37 | 3.67 | 3.67 |
| 328.37 | 3.67 | 3.67 |
| 328.37 | 3.67 | 3.67 |
| 344.83 | 4.18 | 4.18 |
| 344.83 | 4.18 | 4.18 |
| 344.83 | 4.18 | 4.18 |
| 324.41 | 3.84 | 3.84 |
| 324.41 | 3.84 | 3.84 |
| 324.41 | 3.84 | 3.84 |
| 324.41 | 3.87 | 3.87 |
| 354.44 | 3.56 | 3.56 |
| 354.44 | 3.88 | 3.88 |
| 324.41 | 4.09 | 4.09 |
| 340.41 | 3.06 | 3.06 |
| 338.44 | 4.48 | 4.48 |
| 353.41 | 2.55 | 2.55 |
| 354.44 | 3.71 | 3.71 |
| 354.44 | 4.10 | 4.10 |
| 342.40 | 4.23 | 4.23 |
| 358.85 | 4.74 | 4.74 |
| 324.41 | 4.09 | 4.09 |
| 340.41 | 3.06 | 3.06 |
| 338.44 | 4.48 | 4.48 |
| 353.41 | 2.55 | 2.55 |
| 354.44 | 3.71 | 3.71 |
| 354.44 | 4.10 | 4.10 |
| 342.40 | 4.23 | 4.23 |
| 358.85 | 4.74 | 4.74 |
| 338.44 | 4.43 | 4.43 |
| 338.44 | 4.43 | 4.43 |
| 340.41 | 3.06 | 3.06 |
| 342.40 | 4.23 | 4.23 |
| 296.36 | 3.85 | 3.85 |
| 324.41 | 3.57 | 3.57 |
| 354.44 | 4.10 | 4.10 |
| 366.45 | 2.95 | 2.95 |
| 324.37 | 3.17 | 3.17 |
| 370.43 | 3.54 | 3.54 |
| 367.44 | 2.35 | 2.35 |
| 373.48 | 2.53 | 2.53 |
| 350.45 | 4.40 | 4.40 |
| 469.61 | 5.17 | 5.17 |
| 379.27 | 4.83 | 4.83 |
| 355.38 | 3.44 | 3.44 |
| 386.48 | 5.12 | 5.12 |
| 336.42 | 3.80 | 3.80 |
| 336.42 | 4.01 | 4.01 |
| 314.35 | 3.99 | 3.99 |
| 339.42 | 3.57 | 3.57 |
| 311.37 | 2.92 | 2.92 |
| 370.43 | 3.54 | 3.54 |
| 376.39 | 4.13 | 4.13 |
| 379.27 | 4.83 | 4.83 |
| 311.37 | 2.92 | 2.92 |
| 325.40 | 3.11 | 3.11 |
| 346.36 | 3.81 | 3.81 |
| 314.35 | 3.99 | 3.99 |
| 370.43 | 3.54 | 3.54 |
| 336.42 | 3.49 | 3.49 |
| 300.34 | 3.12 | 3.12 |
| 332.34 | 4.13 | 4.13 |
| 394.38 | 4.43 | 4.43 |
| 338.44 | 4.26 | 4.26 |
| 366.45 | 2.95 | 2.95 |
| 311.37 | 2.92 | 2.92 |
| 350.41 | 3.40 | 3.40 |
| 383.43 | 2.79 | 2.79 |
| 330.80 | 4.50 | 4.50 |
| 360.44 | 4.68 | 4.68 |
| 354.44 | 4.10 | 4.10 |
| 350.45 | 4.40 | 4.40 |
| 336.42 | 4.01 | 4.01 |