ID: ALA3887424
Type: Binding
Description: Inhibition Assay: Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics screening system.A solution containing PDH (Lpd=15 μM; DlaT=30 μM; AceE=15 μM) was diluted 2-fold in 100 mM of potassium phosphate buffer (pH 7.0) for the assay. Another reaction solution containing 50 mM potassium phosphate buffer (pH 7.0), 200 μM TPP, 2 mM Pyruvate, 200 μM CoA, 1 mM MgCl2, 1 mM NAD+ was prepared. 5 μL/well of PDH solution was dispensed into 1536-well black plates. Next, 50 nL of each test compound (1 mM dissolved in DMSO) was added into each well. After 30 minutes of incubation, 5 μL/well of reaction solution was added. At the 30th minutes of the reaction, the florescence signal (excitation 360 nm and emission 460 nm) was obtained by Viewlux reader (PerkinElmer).
Bioactivity
Activity Types for Assay ALA3887424
IC50
Parent Molecular Weight | ALogP | Polar Surface Area |
---|---|---|
253.21 | 2.64 | 2.64 |
223.23 | 2.31 | 2.31 |
262.09 | 2.67 | 2.67 |
289.32 | 0.59 | 0.59 |
207.19 | -1.32 | -1.32 |
309.33 | 1.03 | 1.03 |
338.15 | 1.35 | 1.35 |
337.26 | 1.06 | 1.06 |
235.25 | -0.67 | -0.67 |
303.71 | 0.69 | 0.69 |
358.30 | -1.48 | -1.48 |
369.43 | 4.68 | 4.68 |
287.25 | 0.18 | 0.18 |
468.54 | 3.60 | 3.60 |
283.29 | 0.35 | 0.35 |
263.30 | 2.58 | 2.58 |
283.29 | 0.52 | 0.52 |
299.29 | 0.05 | 0.05 |
269.26 | 0.04 | 0.04 |
369.43 | 4.51 | 4.51 |
297.32 | 0.83 | 0.83 |
369.47 | 2.98 | 2.98 |
341.33 | 0.31 | 0.31 |
313.32 | 0.53 | 0.53 |
256.26 | 1.63 | 1.63 |
329.32 | 0.06 | 0.06 |
313.27 | -0.23 | -0.23 |
1701.21 | ||
314.26 | -0.05 | -0.05 |
284.28 | -0.08 | -0.08 |
224.18 | 1.22 | 1.22 |
328.29 | 0.43 | 0.43 |
241.25 | 1.42 | 1.42 |
193.04 | 1.50 | 1.50 |
416.40 | 3.26 | 3.26 |
167.19 | 0.98 | 0.98 |
148.20 | 2.39 | 2.39 |
482.89 | 5.32 | 5.32 |
404.54 | 2.49 | 2.49 |
275.27 | 2.31 | 2.31 |
438.29 | 4.86 | 4.86 |
217.27 | 4.25 | 4.25 |
308.99 | 2.80 | 2.80 |
271.28 | 0.71 | 0.71 |
264.32 | 3.91 | 3.91 |
419.51 | 4.37 | 4.37 |
375.46 | 4.57 | 4.57 |
452.31 | 5.25 | 5.25 |
438.29 | 5.03 | 5.03 |
389.44 | 3.44 | 3.44 |
429.30 | 1.69 | 1.69 |
317.74 | 1.18 | 1.18 |
331.38 | 2.63 | 2.63 |