Assay Report Card

Basic Information

ID: ALA3705869

Type: Binding

Description: Inhibition Assay: The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the residual PDH activity. For expression of hPDHK2 activity, Escherichia coli strain BL21(DE3) cells (Novagen) were transformed with the pET17b vector containing modified hPDHK2 cDNA. Escherichia coli were grown to an optical density 0.6 (600 nmol/L) at 30C. Protein expression was induced by the addition of 500 umol/L isopropyl-beta-thiogalactopyranoside. Escherichia coli were cultured at 30 C. for 5 hr and harvested by centrifugation. Resuspension of the Escherichia coli paste was disrupted by a microfluidizer. FLAG-Tagged protein was separated using FLAG affinity gel (Sigma). The gel was washed with 20 mmol/L N-(2-hydroxyethyl)piperazine-N'-2-ethanesulfonic acid-sodium hydroxide (HEPES-NaOH), 500 mmol/L sodium chloride, 1% ethylene glycol, and 0.1% Pluronic F-68 (pH 8.0), and the binding protein was eluted with 20 mmol/L HEPES.

Activity Charts

Compound Summary

Parent Molecular WeightALogPPolar Surface Area
251.212.862.86
264.253.773.77
264.253.773.77
268.213.603.60
284.664.124.12
284.664.124.12
329.124.234.23
284.664.124.12
284.664.124.12
264.253.773.77
268.213.603.60
268.213.603.60
268.213.603.60
319.114.774.77
265.233.173.17
265.233.173.17
278.274.084.08
278.274.084.08
307.273.423.42
265.233.053.05
319.114.774.77
307.273.423.42
308.253.253.25
294.233.163.16
278.274.034.03
265.233.053.05
308.253.253.25
307.273.423.42
293.242.562.56
307.272.822.82
321.303.173.17
294.233.163.16
293.242.562.56
307.272.822.82
321.303.173.17
285.653.513.51
280.243.473.47
266.223.173.17
278.274.034.03
308.253.253.25
294.233.163.16
293.242.562.56
307.272.822.82
321.303.173.17
322.283.563.56
280.253.473.47
280.253.473.47
322.283.643.64
275.233.343.34
366.293.043.04
335.323.563.56
361.364.094.09
347.343.703.70
349.353.953.95
265.233.053.05
383.374.744.74
361.364.094.09
333.313.313.31
336.314.034.03
336.314.034.03
342.703.913.91
266.223.173.17
266.223.173.17
318.224.484.48
337.303.103.10
294.273.863.86
294.273.863.86
292.263.673.67
280.242.962.96
292.304.424.42
292.304.594.59
321.303.213.21
335.323.603.60
280.252.962.96
294.273.613.61
292.263.673.67
361.364.094.09
319.282.922.92
349.312.282.28
293.293.533.53
306.284.064.06
294.273.613.61
318.294.064.06
293.293.533.53
279.263.513.51
363.332.942.94
363.332.532.53
347.343.563.56
294.273.863.86
347.343.703.70
347.343.623.62
317.274.124.12
320.314.304.30
367.753.963.96
279.263.513.51
321.303.453.45
326.325.135.13
354.334.704.70
360.364.764.76
321.303.813.81
335.324.064.06
327.314.534.53
327.314.534.53
377.363.333.33
391.393.723.72
407.392.952.95
407.342.392.39
393.362.302.30
346.354.844.84
308.304.254.25
319.282.922.92
327.314.534.53
329.124.234.23
412.214.074.07
421.372.482.48
406.361.791.79
420.392.052.05
434.412.392.39
332.324.454.45
391.352.712.71
377.322.622.62
375.353.513.51
376.332.022.02
390.362.282.28
404.392.632.63
326.325.135.13
363.332.942.94
320.314.404.40
344.315.275.27
323.273.643.64
317.274.124.12
360.765.795.79
376.382.852.85
327.314.534.53
340.345.445.44
290.284.504.50
327.314.534.53
318.253.523.52
358.323.183.18
332.283.823.82
328.312.872.87
332.355.195.19
332.355.195.19
327.314.534.53
333.313.593.59
333.354.464.46
344.315.275.27
360.765.795.79
340.345.445.44
407.392.612.61
418.422.932.93
384.354.924.92
370.334.834.83
369.344.234.23
383.374.494.49
397.404.834.83
360.765.795.79
319.334.074.07
335.323.303.30
348.373.223.22
434.464.524.52
334.342.872.87
376.383.133.13
341.335.215.21
405.373.243.24
391.353.153.15
332.365.515.51
356.345.145.14
344.315.275.27
356.345.145.14
398.385.315.31
376.332.412.41
398.385.315.31
390.362.562.56
404.392.822.82
418.423.163.16
360.765.795.79
370.334.834.83
340.345.445.44
369.344.234.23
383.374.494.49
397.404.834.83
361.755.185.18
355.365.235.23
342.325.265.26
370.334.834.83
356.344.624.62
383.375.095.09
383.374.494.49
397.404.834.83
341.334.714.71
356.344.624.62
377.363.063.06
265.233.173.17
383.375.095.09
341.334.844.84
369.344.234.23
432.443.413.41
430.433.163.16
444.453.553.55
460.452.522.52
341.334.844.84
342.324.844.84
405.373.103.10
390.413.523.52
404.433.773.77
418.464.164.16
392.383.353.35
406.403.743.74
420.434.134.13
334.302.712.71
351.335.005.00
363.332.672.67
390.413.243.24
391.353.013.01
391.393.853.85
326.243.393.39
326.243.393.39
326.243.393.39
377.363.773.77
405.424.244.24
351.335.005.00
377.362.922.92
390.362.412.41
404.392.672.67
376.382.902.90
418.423.023.02
376.383.173.17
390.413.433.43
404.433.773.77
432.835.965.96
404.775.485.48
364.322.712.71
418.805.575.57
337.303.533.53
404.775.485.48
403.794.884.88
417.815.155.15
431.845.495.49
410.394.374.37
361.755.185.18
290.284.344.34
317.274.124.12
418.423.163.16
332.283.823.82
290.284.504.50
322.334.644.64
332.292.662.66
332.292.662.66
352.365.645.64
362.395.425.42
348.365.035.03
334.344.644.64
320.314.254.25
380.364.194.19
352.313.713.71
334.344.794.79
348.365.185.18
362.375.115.11
356.345.045.04
330.313.873.87
322.334.504.50
308.304.254.25
395.216.446.44
332.283.823.82
290.284.344.34
333.354.314.31
338.323.623.62
452.904.814.81
363.564.884.88
341.334.844.84
332.283.823.82
331.294.434.43
336.354.894.89
316.283.863.86
336.355.035.03
336.354.894.89
351.323.113.11
365.353.373.37
379.383.713.71
394.394.584.58
324.303.233.23
495.555.225.22
364.754.524.52
324.252.932.93
323.272.332.33
337.302.592.59
351.322.932.93
338.283.323.32
310.272.842.84
333.354.454.45
350.385.425.42
366.334.104.10
352.354.014.01
351.322.532.53
366.384.404.40
393.414.104.10
328.293.923.92
337.302.722.72
351.322.982.98
365.353.323.32
391.352.852.85
379.383.763.76
365.353.503.50
349.353.953.95
363.384.344.34
332.355.195.19
337.302.192.19
351.322.582.58
365.352.972.97
331.303.563.56
377.322.762.76
321.303.213.21
335.323.613.61
340.345.065.06
380.364.494.49
379.383.313.31
309.292.802.80
323.313.063.06
337.343.413.41
409.404.374.37
423.434.714.71
351.322.982.98
365.353.323.32
365.352.922.92
427.812.952.95
438.833.283.28
397.783.183.18
323.313.193.19
337.343.453.45
351.373.803.80
379.383.713.71
362.744.584.58
279.262.922.92
446.432.132.13
379.383.283.28
383.752.942.94
365.353.373.37
503.527.157.15
447.415.895.89
388.353.653.65
374.323.563.56
445.443.373.37
431.412.932.93
344.344.354.35
381.352.292.29
440.812.442.44
363.342.592.59
377.362.842.84
420.392.102.10
322.283.183.18
401.393.573.57
413.403.713.71
427.434.104.10
338.283.023.02
404.343.333.33
377.363.473.47
377.363.473.47
391.393.863.86
393.362.702.70
401.342.792.79
386.333.713.71
367.321.951.95
381.352.292.29
372.303.623.62
399.373.623.62
411.383.773.77
425.414.164.16
443.433.423.42
429.402.992.99
429.402.682.68
443.432.932.93
473.452.702.70
443.433.073.07
330.313.873.87
281.232.872.87
395.382.682.68
379.383.713.71
379.383.713.71
407.392.832.83
407.392.832.83
400.784.754.75
357.722.982.98
372.394.984.98
386.804.664.66
399.803.983.98
379.382.912.91
379.382.912.91
363.333.083.08
457.453.463.46
457.453.463.46
457.453.323.32
391.393.863.86
407.392.832.83
421.423.073.07
366.342.722.72
382.341.691.69
411.381.661.66
405.424.254.25
308.253.093.09
307.272.492.49
431.204.474.47
294.273.003.00
430.434.464.46
432.444.414.41
435.853.393.39
415.802.952.95
385.773.763.76
360.333.323.32
457.453.873.87
338.283.323.32
399.373.323.32
321.303.103.10
391.393.863.86
293.293.183.18
335.333.443.44
363.333.123.12
377.363.463.46
421.423.223.22
443.433.783.78
445.443.723.72
459.422.752.75
461.442.702.70
418.424.024.02
459.474.114.11
416.404.074.07
457.454.174.17
378.352.862.86
451.443.463.46
407.392.832.83
324.261.721.72
431.413.383.38
374.363.713.71
442.233.843.84
416.193.353.35
473.452.702.70
501.513.483.48
443.433.483.48
417.392.992.99
423.393.173.17
381.352.862.86
363.333.123.12
363.333.123.12
377.363.463.46
377.363.463.46
432.404.114.11
407.392.832.83
417.183.783.78
404.393.633.63
418.373.723.72
445.443.723.72
390.363.243.24
431.413.333.33
390.363.333.33
379.333.303.30
394.783.973.97
443.433.173.17
395.332.392.39
360.333.873.87
541.454.274.27
358.364.914.91
406.415.385.38
403.362.732.73
413.422.882.88
378.352.872.87
393.363.693.69
487.524.754.75
387.154.014.01
459.422.452.45
457.453.563.56
433.392.192.19
386.754.364.36
372.733.673.67
462.423.563.56
374.323.413.41
487.483.323.32
388.353.803.80
387.363.203.20
401.393.463.46
415.423.813.81
503.523.723.72
393.362.702.70
443.433.863.86
374.363.633.63
373.332.812.81
387.363.073.07
401.393.423.42
473.452.932.93
489.451.901.90
418.374.104.10
475.473.083.08
475.473.083.08
489.493.473.47
420.392.572.57
389.332.722.72
378.333.463.46
407.783.473.47
387.363.123.12
551.615.805.80
538.616.316.31
430.384.174.17
401.393.463.46
401.393.383.38
421.813.733.73
415.423.853.85
405.353.213.21
408.764.074.07
422.794.464.46
373.332.962.96
298.694.434.43
421.813.863.86
450.506.256.25
372.395.085.08
386.425.375.37
302.654.264.26
401.393.463.46
401.394.014.01
387.363.453.45
415.423.813.81
403.362.422.42
420.364.334.33
402.374.114.11
416.404.504.50
524.585.975.97
567.614.914.91
554.615.425.42
406.333.943.94
446.445.165.16
446.445.125.12
428.454.904.90
480.535.665.66
432.424.734.73
446.404.824.82
388.353.723.72
392.313.553.55
446.434.504.50
460.455.155.15
446.434.594.59
358.364.484.48
363.342.802.80
360.333.363.36
457.454.174.17
330.313.713.71
316.283.653.65
429.394.774.77
331.303.263.26
361.322.722.72
346.313.573.57
408.352.822.82
408.352.822.82
358.364.484.48
389.333.203.20
415.423.703.70
360.333.363.36
420.392.602.60
377.363.193.19
456.433.393.39
416.404.464.46
430.434.754.75
430.434.854.85
446.434.364.36
354.333.853.85
410.404.274.27
470.453.183.18
432.404.204.20
446.434.594.59
407.392.962.96
374.363.633.63
402.373.523.52
404.393.373.37
386.374.554.55
418.373.813.81
432.404.204.20
390.362.812.81
388.394.094.09
418.423.553.55
388.394.404.40
430.384.014.01
408.352.992.99
372.354.074.07
374.363.843.84
374.363.923.92
419.403.673.67
418.373.303.30
417.392.702.70
402.424.584.58
384.363.213.21
404.393.163.16
430.434.894.89
434.394.584.58
404.342.912.91
403.362.312.31
434.394.684.68
368.353.113.11
436.392.792.79
419.364.364.36
446.434.554.55
390.362.812.81
342.703.913.91
374.363.843.84
446.434.454.45
390.362.812.81
388.394.404.40
434.412.852.85
432.403.693.69
448.443.473.47
323.704.184.18
323.272.572.57
310.272.972.97
420.392.602.60
416.444.524.52
317.272.552.55
321.303.133.13
435.56
314.693.613.61
327.693.223.22
387.362.892.89
402.424.584.58
415.424.184.18
353.301.941.94
304.272.942.94
308.303.523.52
374.363.403.40
379.331.771.77
415.424.084.08
429.444.474.47
446.474.054.05
402.424.484.48
416.444.874.87
430.433.893.89
432.443.813.81
418.423.423.42
432.443.983.98
418.423.123.12
405.423.513.51
371.323.023.02
418.423.593.59
455.485.015.01
418.423.243.24
444.454.284.28
474.524.834.83
442.485.405.40
275.233.343.34
422.383.173.17
406.384.244.24
409.333.333.33
410.322.722.72
434.434.974.97
440.433.783.78
404.393.033.03
438.382.142.14
420.392.002.00
434.412.312.31