Basic Information
ID: ALA3887093
Type: Binding
Description: FRET-Based Assay: The HCV NS3 protease functions have been extensively studied and are considered as potential targets for antiviral therapy: see for example the many references listed in the introductory section of this application. Therefore, the activity of the compounds of the invention as anti-HCV agents was assessed using a full length HCV NS3 protease.The protease activity of the full length NS3/4a was measured using a FRET-based assay utilizing a peptide substrate derived from the NS4A/B cleavage site (Anaspec) and labelled at one end with a quencher (QXL520) and at the other with a fluorophore (5-FAMsp). NS3/4a (produced in-house by literature methods) was incubated with test compounds and peptide substrate in 50 mM Tris pH8, 20 mM DTT, 1% CHAPS, 10% glycerol and 5% DMSO. The reaction was followed by monitoring the change in fluorescence on a Molecular Devices Gemini plate reader for 30 minutes at room temperature.
Organism: Hepatitis C virus genotype 1a (isolate H)
Activity Charts
Bioactivity
Activity Types for Assay ALA3887093
IC50
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 327.19 | 4.17 | 4.17 |
| 348.81 | 3.06 | 3.06 |
| 420.87 | 3.71 | 3.71 |
| 447.89 | 3.35 | 3.35 |
| 401.87 | 3.59 | 3.59 |
| 377.85 | 3.41 | 3.41 |
| 372.44 | 3.37 | 3.37 |
| 402.86 | 3.28 | 3.28 |
| 393.85 | 2.39 | 2.39 |
| 431.90 | 3.89 | 3.89 |
| 404.87 | 3.16 | 3.16 |
| 334.78 | 3.04 | 3.04 |
| 443.91 | 3.89 | 3.89 |
| 392.86 | 2.99 | 2.99 |
| 414.87 | 3.28 | 3.28 |
| 376.86 | 4.01 | 4.01 |
| 390.43 | 3.51 | 3.51 |
| 383.88 | 3.47 | 3.47 |
| 438.33 | 4.25 | 4.25 |
| 307.76 | 3.10 | 3.10 |
| 428.90 | 3.47 | 3.47 |
| 292.74 | 3.51 | 3.51 |
| 351.81 | 2.72 | 2.72 |
| 418.90 | 3.38 | 3.38 |
| 387.84 | 3.20 | 3.20 |
| 403.89 | 3.80 | 3.80 |
| 418.90 | 3.38 | 3.38 |
| 378.83 | 2.80 | 2.80 |
| 360.40 | 3.50 | 3.50 |
| 402.44 | 3.51 | 3.51 |
| 392.86 | 2.99 | 2.99 |
| 349.83 | 4.13 | 4.13 |
| 401.87 | 3.89 | 3.89 |
| 420.92 | 3.48 | 3.48 |
| 416.88 | 3.47 | 3.47 |
| 401.87 | 3.89 | 3.89 |
| 420.92 | 3.63 | 3.63 |
| 391.87 | 3.80 | 3.80 |
| 406.89 | 3.45 | 3.45 |
| 393.85 | 2.39 | 2.39 |
| 404.87 | 2.99 | 2.99 |
| 412.84 | 4.29 | 4.29 |
| 443.91 | 3.60 | 3.60 |
| 392.86 | 3.72 | 3.72 |
| 377.85 | 3.27 | 3.27 |
| 448.88 | 2.74 | 2.74 |
| 393.85 | 2.65 | 2.65 |
| 394.85 | 4.15 | 4.15 |
| 420.87 | 3.71 | 3.71 |
| 431.90 | 3.89 | 3.89 |
| 389.86 | 3.41 | 3.41 |
| 406.89 | 3.30 | 3.30 |
| 350.82 | 3.53 | 3.53 |
| 363.82 | 3.02 | 3.02 |
| 394.85 | 4.15 | 4.15 |
| 291.75 | 4.12 | 4.12 |
| 392.86 | 3.72 | 3.72 |
| 376.86 | 4.01 | 4.01 |
| 377.85 | 3.41 | 3.41 |
| 377.85 | 3.41 | 3.41 |
| 426.32 | 4.25 | 4.25 |
| 386.86 | 4.63 | 4.63 |
| 388.44 | 2.35 | 2.35 |
| 388.87 | 4.01 | 4.01 |
| 404.87 | 2.99 | 2.99 |
| 402.47 | 2.74 | 2.74 |
| 378.84 | 2.60 | 2.60 |
| 402.44 | 3.51 | 3.51 |
| 390.43 | 3.51 | 3.51 |
| 335.81 | 3.74 | 3.74 |
| 392.86 | 2.99 | 2.99 |
| 381.84 | 3.31 | 3.31 |
| 378.84 | 2.60 | 2.60 |
| 346.79 | 4.00 | 4.00 |
| 389.86 | 3.41 | 3.41 |
| 406.89 | 3.51 | 3.51 |
| 433.91 | 3.82 | 3.82 |
| 406.89 | 3.38 | 3.38 |
| 363.86 | 4.52 | 4.52 |
| 356.44 | 3.67 | 3.67 |
| 407.88 | 2.85 | 2.85 |
| 436.92 | 2.62 | 2.62 |
| 403.89 | 3.67 | 3.67 |
| 406.89 | 3.38 | 3.38 |
| 401.48 | 3.26 | 3.26 |
| 406.89 | 3.51 | 3.51 |
| 392.86 | 2.99 | 2.99 |
| 393.85 | 2.70 | 2.70 |
| 397.45 | 3.24 | 3.24 |
| 418.90 | 3.51 | 3.51 |
| 377.85 | 3.41 | 3.41 |
| 405.90 | 3.91 | 3.91 |
| 473.94 | 3.09 | 3.09 |
| 459.91 | 3.35 | 3.35 |
| 389.86 | 3.41 | 3.41 |
| 291.75 | 4.12 | 4.12 |
| 293.73 | 2.91 | 2.91 |
| 363.82 | 4.18 | 4.18 |
| 416.88 | 3.47 | 3.47 |
| 362.79 | 3.45 | 3.45 |
| 418.90 | 3.38 | 3.38 |
| 392.86 | 2.99 | 2.99 |
| 403.89 | 3.80 | 3.80 |
| 316.76 | 3.99 | 3.99 |
| 292.74 | 3.51 | 3.51 |
| 393.85 | 2.65 | 2.65 |
| 417.91 | 3.91 | 3.91 |
| 430.87 | 3.88 | 3.88 |
| 428.90 | 3.47 | 3.47 |
| 321.78 | 3.36 | 3.36 |
| 307.75 | 3.83 | 3.83 |
| 271.33 | 3.77 | 3.77 |
| 287.33 | 3.48 | 3.48 |
| 393.85 | 2.39 | 2.39 |
| 358.80 | 4.00 | 4.00 |
| 404.87 | 2.99 | 2.99 |
| 319.77 | 3.26 | 3.26 |
| 321.75 | 4.26 | 4.26 |
| 372.83 | 4.07 | 4.07 |
| 346.83 | 4.56 | 4.56 |
| 388.87 | 4.01 | 4.01 |
| 308.74 | 2.75 | 2.75 |
| 296.73 | 3.42 | 3.42 |
| 406.89 | 3.38 | 3.38 |
| 406.89 | 3.30 | 3.30 |
| 447.89 | 3.35 | 3.35 |
| 392.86 | 2.99 | 2.99 |
| 404.87 | 3.16 | 3.16 |
| 365.84 | 3.11 | 3.11 |
| 438.33 | 4.25 | 4.25 |
| 292.74 | 3.51 | 3.51 |
| 309.74 | 4.26 | 4.26 |
| 319.77 | 3.10 | 3.10 |
| 381.84 | 3.31 | 3.31 |
| 435.93 | 2.58 | 2.58 |
| 333.79 | 3.61 | 3.61 |
| 318.78 | 4.12 | 4.12 |
| 305.32 | 3.61 | 3.61 |
| 338.79 | 4.12 | 4.12 |
| 406.89 | 3.38 | 3.38 |
| 358.80 | 3.70 | 3.70 |
| 298.77 | 3.58 | 3.58 |
| 372.44 | 3.37 | 3.37 |
| 304.75 | 3.51 | 3.51 |
| 389.86 | 3.41 | 3.41 |
| 459.91 | 3.35 | 3.35 |
| 329.76 | 3.39 | 3.39 |
| 305.32 | 3.61 | 3.61 |
| 388.44 | 2.35 | 2.35 |
| 401.87 | 3.89 | 3.89 |
| 304.75 | 3.51 | 3.51 |
| 392.86 | 3.72 | 3.72 |
| 418.90 | 3.51 | 3.51 |
| 307.75 | 3.83 | 3.83 |
| 275.30 | 3.61 | 3.61 |
| 414.87 | 3.28 | 3.28 |
| 335.77 | 2.61 | 2.61 |
| 392.86 | 2.99 | 2.99 |
| 376.86 | 4.01 | 4.01 |
| 356.44 | 3.67 | 3.67 |
| 327.19 | 4.17 | 4.17 |
| 383.88 | 3.47 | 3.47 |
| 360.40 | 3.50 | 3.50 |
| 328.77 | 3.99 | 3.99 |
| 281.72 | 2.84 | 2.84 |
| 426.32 | 4.25 | 4.25 |
| 307.76 | 3.10 | 3.10 |
| 363.82 | 3.02 | 3.02 |
| 401.48 | 3.26 | 3.26 |
| 308.74 | 2.49 | 2.49 |
| 473.94 | 3.09 | 3.09 |
| 319.77 | 3.10 | 3.10 |
| 402.44 | 3.51 | 3.51 |
| 320.75 | 2.49 | 2.49 |
| 418.90 | 3.38 | 3.38 |
| 334.82 | 4.55 | 4.55 |
| 362.83 | 3.63 | 3.63 |
| 306.77 | 3.78 | 3.78 |
| 406.89 | 3.45 | 3.45 |
| 332.81 | 4.31 | 4.31 |
| 321.78 | 3.61 | 3.61 |
| 379.82 | 2.00 | 2.00 |
| 391.83 | 2.00 | 2.00 |
| 307.76 | 3.10 | 3.10 |
| 386.86 | 4.63 | 4.63 |
| 308.74 | 2.81 | 2.81 |
| 322.77 | 2.95 | 2.95 |
| 327.73 | 4.40 | 4.40 |
| 321.78 | 3.56 | 3.56 |
| 378.84 | 2.60 | 2.60 |
| 317.33 | 3.61 | 3.61 |
| 391.87 | 3.66 | 3.66 |
| 292.74 | 3.51 | 3.51 |
| 436.92 | 2.62 | 2.62 |
| 397.45 | 3.24 | 3.24 |
| 317.33 | 3.61 | 3.61 |
| 402.86 | 3.28 | 3.28 |
| 392.86 | 2.99 | 2.99 |
| 391.87 | 3.80 | 3.80 |
| 303.76 | 4.12 | 4.12 |
| 309.74 | 4.26 | 4.26 |
| 321.78 | 3.49 | 3.49 |
| 405.90 | 3.91 | 3.91 |
| 443.91 | 3.60 | 3.60 |
| 389.86 | 3.41 | 3.41 |
| 406.89 | 3.51 | 3.51 |
| 378.83 | 2.80 | 2.80 |
| 321.78 | 3.61 | 3.61 |
| 348.81 | 3.92 | 3.92 |
| 404.87 | 2.99 | 2.99 |
| 377.85 | 3.41 | 3.41 |
| 405.90 | 4.05 | 4.05 |
| 298.77 | 3.58 | 3.58 |
| 405.86 | 2.39 | 2.39 |
| 406.89 | 3.51 | 3.51 |
| 336.75 | 3.21 | 3.21 |
| 350.82 | 3.53 | 3.53 |