Basic Information
ID: ALA3705469
Type: Binding
Description: Enzyme Assay: An enzymatic assay was developed to measure KHK-mediated conversion of D-fructose to Fructose-1-P (F-1-P) using High Throughput Mass Spectroscopy (HTMS) as a means of product detection. This assay served as a primary screen to evaluate the ability to inhibit KHK enzyme activity and it has been adapted to high throughput mass spectrometry (HTMS, BioTrove RapidFire) format for higher throughput.The compounds to be tested were dosed in 12-points concentration from 511 uM to 0.5 uM. Inhibition of the fragment, IC50, was determined in a dose-response curve under the established steady-state conditions of 200 uM fructose, 100 uM ATP and 2 nM KHK for 60 min at 25 C. The assay was carried out in 384-well plate format.
Activity Charts
Bioactivity
Activity Types for Assay ALA3705469
IC50
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 366.49 | 3.69 | 3.69 |
| 324.45 | 3.16 | 3.16 |
| 317.42 | 4.81 | 4.81 |
| 336.46 | 3.30 | 3.30 |
| 339.46 | 3.88 | 3.88 |
| 366.49 | 3.69 | 3.69 |
| 352.46 | 3.30 | 3.30 |
| 338.44 | 2.91 | 2.91 |
| 395.53 | 2.98 | 2.98 |
| 407.59 | 3.62 | 3.62 |
| 435.60 | 3.40 | 3.40 |
| 339.44 | 4.26 | 4.26 |
| 339.44 | 4.26 | 4.26 |
| 335.48 | 4.43 | 4.43 |
| 351.48 | 4.13 | 4.13 |
| 366.45 | 4.03 | 4.03 |
| 336.46 | 3.71 | 3.71 |
| 292.39 | 2.74 | 2.74 |
| 391.52 | 2.91 | 2.91 |
| 306.41 | 3.00 | 3.00 |
| 389.55 | 3.46 | 3.46 |
| 320.44 | 3.39 | 3.39 |
| 320.44 | 3.34 | 3.34 |
| 334.47 | 3.73 | 3.73 |
| 332.45 | 3.24 | 3.24 |
| 375.52 | 3.07 | 3.07 |
| 383.50 | 4.31 | 4.31 |
| 382.51 | 4.66 | 4.66 |
| 383.46 | 4.12 | 4.12 |
| 381.44 | 4.72 | 4.72 |
| 309.37 | 1.88 | 1.88 |
| 380.52 | 4.22 | 4.22 |
| 367.48 | 3.23 | 3.23 |
| 381.51 | 3.62 | 3.62 |
| 360.44 | 4.39 | 4.39 |
| 374.47 | 4.32 | 4.32 |
| 338.48 | 3.55 | 3.55 |
| 352.46 | 3.44 | 3.44 |
| 360.44 | 4.39 | 4.39 |
| 379.53 | 2.84 | 2.84 |
| 435.60 | 3.40 | 3.40 |
| 429.55 | 4.10 | 4.10 |
| 415.57 | 4.46 | 4.46 |
| 393.56 | 3.23 | 3.23 |
| 407.59 | 3.62 | 3.62 |
| 379.53 | 2.84 | 2.84 |
| 393.56 | 3.23 | 3.23 |
| 401.54 | 4.47 | 4.47 |
| 393.52 | 3.35 | 3.35 |
| 407.54 | 3.74 | 3.74 |
| 407.54 | 3.60 | 3.60 |
| 421.57 | 3.99 | 3.99 |
| 401.54 | 4.47 | 4.47 |
| 429.55 | 4.10 | 4.10 |
| 429.55 | 4.10 | 4.10 |
| 415.57 | 4.46 | 4.46 |
| 421.57 | 3.15 | 3.15 |
| 435.60 | 3.54 | 3.54 |
| 389.55 | 3.46 | 3.46 |
| 397.52 | 5.39 | 5.39 |
| 376.50 | 3.40 | 3.40 |
| 375.52 | 3.07 | 3.07 |
| 361.49 | 2.68 | 2.68 |
| 375.48 | 3.19 | 3.19 |
| 389.50 | 3.58 | 3.58 |
| 346.48 | 3.78 | 3.78 |
| 367.50 | 5.33 | 5.33 |
| 374.53 | 4.27 | 4.27 |
| 368.48 | 4.41 | 4.41 |
| 347.47 | 2.43 | 2.43 |
| 361.49 | 2.82 | 2.82 |
| 347.47 | 2.43 | 2.43 |
| 361.49 | 2.82 | 2.82 |
| 375.52 | 3.21 | 3.21 |
| 369.47 | 4.06 | 4.06 |
| 367.41 | 4.46 | 4.46 |
| 375.48 | 3.33 | 3.33 |
| 306.41 | 3.09 | 3.09 |
| 320.44 | 3.48 | 3.48 |
| 334.47 | 3.86 | 3.86 |
| 306.41 | 3.13 | 3.13 |
| 292.39 | 2.87 | 2.87 |
| 363.47 | 2.13 | 2.13 |
| 363.47 | 2.13 | 2.13 |
| 377.49 | 2.52 | 2.52 |
| 385.47 | 3.76 | 3.76 |
| 384.48 | 4.11 | 4.11 |
| 366.42 | 4.89 | 4.89 |
| 383.41 | 4.16 | 4.16 |
| 391.48 | 3.03 | 3.03 |
| 363.47 | 1.47 | 1.47 |
| 385.48 | 3.10 | 3.10 |
| 386.46 | 3.20 | 3.20 |
| 364.45 | 1.57 | 1.57 |
| 420.52 | 2.12 | 2.12 |
| 378.48 | 1.96 | 1.96 |
| 392.51 | 2.35 | 2.35 |
| 378.48 | 1.64 | 1.64 |
| 323.40 | 2.14 | 2.14 |
| 400.49 | 3.45 | 3.45 |
| 400.49 | 3.45 | 3.45 |
| 392.51 | 2.21 | 2.21 |
| 406.53 | 2.60 | 2.60 |
| 434.54 | 2.38 | 2.38 |
| 385.47 | 3.51 | 3.51 |
| 441.58 | 4.85 | 4.85 |
| 399.50 | 3.30 | 3.30 |
| 413.53 | 4.52 | 4.52 |
| 399.50 | 4.27 | 4.27 |
| 427.55 | 4.46 | 4.46 |
| 441.58 | 4.80 | 4.80 |
| 455.61 | 5.24 | 5.24 |
| 380.56 | 4.57 | 4.57 |
| 338.48 | 3.91 | 3.91 |
| 411.49 | 3.14 | 3.14 |
| 381.51 | 2.81 | 2.81 |
| 352.51 | 4.16 | 4.16 |
| 353.50 | 2.73 | 2.73 |
| 338.48 | 3.47 | 3.47 |
| 421.61 | 3.93 | 3.93 |
| 354.48 | 3.17 | 3.17 |
| 443.57 | 3.90 | 3.90 |
| 418.36 | 4.64 | 4.64 |
| 432.39 | 4.89 | 4.89 |
| 383.48 | 3.06 | 3.06 |
| 381.51 | 2.59 | 2.59 |
| 397.46 | 2.70 | 2.70 |
| 425.58 | 3.76 | 3.76 |
| 353.49 | 3.78 | 3.78 |
| 347.44 | 4.22 | 4.22 |
| 349.50 | 4.76 | 4.76 |
| 351.48 | 3.93 | 3.93 |
| 423.50 | 3.23 | 3.23 |
| 392.53 | 3.71 | 3.71 |
| 333.42 | 3.97 | 3.97 |
| 343.46 | 5.31 | 5.31 |
| 343.46 | 5.31 | 5.31 |
| 381.51 | 2.77 | 2.77 |
| 380.52 | 4.08 | 4.08 |
| 365.50 | 4.32 | 4.32 |
| 365.50 | 4.32 | 4.32 |
| 351.48 | 4.07 | 4.07 |
| 367.52 | 3.06 | 3.06 |
| 366.53 | 4.55 | 4.55 |
| 384.48 | 3.78 | 3.78 |
| 380.47 | 2.36 | 2.36 |
| 398.49 | 4.87 | 4.87 |
| 442.59 | 5.01 | 5.01 |
| 428.52 | 4.87 | 4.87 |
| 335.48 | 4.51 | 4.51 |
| 349.50 | 4.76 | 4.76 |
| 357.48 | 5.62 | 5.62 |
| 335.48 | 4.43 | 4.43 |
| 351.52 | 4.68 | 4.68 |