ID: ALA1614423
Type: Functional
Description: PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 1046 (Thrombin 1536 HTS; hits were confirmed in this assay)]
Organism: Homo sapiens
Bioactivity
Activity Types for Assay ALA1614423
IC50
Parent Molecular Weight | ALogP | Polar Surface Area |
---|---|---|
282.30 | 2.87 | 2.87 |
227.29 | 3.67 | 3.67 |
189.22 | 1.35 | 1.35 |
227.29 | 3.67 | 3.67 |
268.23 | 2.76 | 2.76 |
281.33 | 1.34 | 1.34 |
297.74 | 4.47 | 4.47 |
315.35 | 2.96 | 2.96 |
285.33 | 2.95 | 2.95 |
299.36 | 3.26 | 3.26 |
345.38 | 2.97 | 2.97 |
268.28 | 2.12 | 2.12 |
284.28 | 1.82 | 1.82 |
254.25 | 1.81 | 1.81 |
288.69 | 2.46 | 2.46 |
314.30 | 1.83 | 1.83 |
284.28 | 1.82 | 1.82 |
288.69 | 2.46 | 2.46 |
340.40 | 3.53 | 3.53 |
307.82 | 2.19 | 2.19 |
180.16 | 1.01 | 1.01 |
251.31 | 3.86 | 3.86 |
223.24 | 2.12 | 2.12 |
313.35 | 2.30 | 2.30 |
335.75 | 0.67 | 0.67 |
428.11 | 4.75 | 4.75 |
365.39 | 3.16 | 3.16 |
374.40 | 3.85 | 3.85 |
312.34 | 3.26 | 3.26 |
329.45 | 3.57 | 3.57 |
292.36 | 0.85 | 0.85 |
338.36 | 2.53 | 2.53 |
433.53 | 5.47 | 5.47 |
449.50 | 3.61 | 3.61 |
283.27 | 1.75 | 1.75 |
241.68 | 1.43 | 1.43 |
288.28 | 2.87 | 2.87 |
408.57 | 2.44 | 2.44 |
364.36 | 3.80 | 3.80 |
897.11 | 1.12 | 1.12 |
379.44 | 3.29 | 3.29 |
217.27 | 0.55 | 0.55 |
392.64 | 3.50 | 3.50 |
457.51 | 1.93 | 1.93 |
240.35 | 3.32 | 3.32 |
249.30 | 1.70 | 1.70 |
348.42 | 2.41 | 2.41 |
403.44 | 4.35 | 4.35 |
418.47 | 1.99 | 1.99 |
490.57 | 3.15 | 3.15 |
337.36 | 3.91 | 3.91 |
399.41 | 3.86 | 3.86 |
457.56 | 4.61 | 4.61 |
402.52 | 3.56 | 3.56 |
289.33 | 1.81 | 1.81 |
381.50 | 3.66 | 3.66 |
385.43 | 3.30 | 3.30 |
390.19 | 2.59 | 2.59 |
357.39 | 3.32 | 3.32 |
343.41 | 2.85 | 2.85 |
270.24 | 2.91 | 2.91 |
279.30 | 1.81 | 1.81 |
313.32 | 1.47 | 1.47 |
358.45 | 2.07 | 2.07 |
296.33 | 3.12 | 3.12 |
220.28 | 1.38 | 1.38 |
333.41 | 2.55 | 2.55 |
422.53 | 4.24 | 4.24 |
256.40 | 1.89 | 1.89 |
227.22 | 1.90 | 1.90 |
268.36 | 3.65 | 3.65 |
399.47 | 2.21 | 2.21 |
292.43 | 3.43 | 3.43 |
478.53 | 4.10 | 4.10 |
369.45 | 3.52 | 3.52 |
411.45 | 4.37 | 4.37 |
383.54 | 4.29 | 4.29 |
395.84 | 4.89 | 4.89 |
444.47 | 1.38 | 1.38 |
366.76 | 4.33 | 4.33 |
309.33 | 1.38 | 1.38 |
314.78 | 3.42 | 3.42 |
468.60 | 4.19 | 4.19 |
358.31 | 1.70 | 1.70 |
379.38 | 0.52 | 0.52 |
470.70 | 4.38 | 4.38 |
332.43 | 5.16 | 5.16 |
317.35 | 2.93 | 2.93 |
183.64 | 2.17 | 2.17 |
411.45 | 5.16 | 5.16 |
283.28 | 3.19 | 3.19 |
301.26 | 2.19 | 2.19 |
345.40 | 2.73 | 2.73 |
367.36 | 3.78 | 3.78 |
353.21 | 3.50 | 3.50 |
327.41 | 3.45 | 3.45 |
493.40 | 4.47 | 4.47 |
313.38 | 3.88 | 3.88 |
492.60 | 5.90 | 5.90 |
278.31 | 2.41 | 2.41 |
312.85 | 3.51 | 3.51 |
373.46 | 2.41 | 2.41 |
532.58 | 3.66 | 3.66 |
374.80 | 3.64 | 3.64 |
303.81 | 2.91 | 2.91 |
362.36 | 2.80 | 2.80 |
297.36 | 3.69 | 3.69 |
335.41 | 3.28 | 3.28 |
374.85 | 4.64 | 4.64 |
299.35 | 3.11 | 3.11 |
253.26 | 2.86 | 2.86 |
339.42 | 4.37 | 4.37 |
423.54 | 3.96 | 3.96 |
387.50 | 4.68 | 4.68 |
343.47 | 2.77 | 2.77 |
408.50 | 3.96 | 3.96 |
365.46 | 3.53 | 3.53 |
385.43 | 3.65 | 3.65 |
351.41 | 3.40 | 3.40 |
358.38 | 2.83 | 2.83 |
340.36 | 2.98 | 2.98 |
860.43 | -2.46 | -2.46 |
242.24 | 1.03 | 1.03 |
265.24 | 0.97 | 0.97 |
373.52 | 3.97 | 3.97 |
270.33 | 3.22 | 3.22 |
377.46 | 2.90 | 2.90 |
281.32 | 2.76 | 2.76 |
459.49 | 4.27 | 4.27 |
373.79 | 2.32 | 2.32 |
312.44 | 1.30 | 1.30 |
389.44 | 3.35 | 3.35 |
401.47 | 3.15 | 3.15 |
319.38 | 2.50 | 2.50 |
374.85 | 4.01 | 4.01 |
281.34 | -0.54 | -0.54 |
314.32 | 3.27 | 3.27 |
345.44 | 3.14 | 3.14 |
349.42 | 1.15 | 1.15 |
375.23 | 2.38 | 2.38 |
257.34 | 2.23 | 2.23 |
357.44 | 3.40 | 3.40 |
393.34 | 3.33 | 3.33 |
343.39 | 2.54 | 2.54 |
416.78 | 2.14 | 2.14 |
417.44 | 1.48 | 1.48 |
526.59 | 3.09 | 3.09 |
374.34 | 2.73 | 2.73 |
471.54 | 2.23 | 2.23 |
419.51 | 4.38 | 4.38 |
400.69 | 3.77 | 3.77 |
363.32 | 5.65 | 5.65 |
500.14 | 3.15 | 3.15 |
320.37 | 1.34 | 1.34 |
408.45 | 3.26 | 3.26 |
303.67 | 4.51 | 4.51 |
325.39 | 3.36 | 3.36 |
401.27 | 3.90 | 3.90 |
399.41 | 4.15 | 4.15 |
422.51 | 2.25 | 2.25 |
288.23 | 3.02 | 3.02 |
405.48 | 3.10 | 3.10 |
286.31 | 3.92 | 3.92 |
322.37 | 2.84 | 2.84 |
329.39 | 2.12 | 2.12 |
361.45 | 3.08 | 3.08 |
205.30 | 2.95 | 2.95 |
490.95 | 4.90 | 4.90 |
278.15 | 3.60 | 3.60 |
435.46 | 0.91 | 0.91 |
389.48 | 5.10 | 5.10 |
417.49 | 2.09 | 2.09 |
429.50 | 2.33 | 2.33 |
381.39 | 1.13 | 1.13 |
345.38 | 2.53 | 2.53 |
370.41 | 4.34 | 4.34 |
243.71 | 3.85 | 3.85 |
282.30 | 2.39 | 2.39 |
255.32 | 2.50 | 2.50 |
329.43 | 2.90 | 2.90 |
279.30 | 1.92 | 1.92 |
406.44 | 1.55 | 1.55 |
250.33 | 1.48 | 1.48 |
413.46 | 2.61 | 2.61 |
324.34 | 3.23 | 3.23 |
344.44 | 3.12 | 3.12 |
383.37 | 4.30 | 4.30 |
292.34 | 2.72 | 2.72 |
359.43 | 2.21 | 2.21 |
429.65 | 4.82 | 4.82 |
319.43 | 5.01 | 5.01 |
435.87 | 3.65 | 3.65 |
453.56 | 1.71 | 1.71 |
415.52 | 4.19 | 4.19 |
356.35 | 2.60 | 2.60 |
354.39 | 3.29 | 3.29 |
376.43 | 2.20 | 2.20 |
197.31 | 1.71 | 1.71 |
379.43 | 4.68 | 4.68 |
462.39 | 4.11 | 4.11 |
454.53 | 1.88 | 1.88 |
180.23 | 1.96 | 1.96 |
379.21 | 2.54 | 2.54 |
285.33 | 2.95 | 2.95 |
313.39 | 3.06 | 3.06 |
243.09 | 3.10 | 3.10 |
430.56 | 3.63 | 3.63 |
324.36 | 3.66 | 3.66 |
233.30 | 1.95 | 1.95 |
427.49 | 4.20 | 4.20 |
414.51 | 5.01 | 5.01 |
448.57 | 5.30 | 5.30 |
260.27 | 2.41 | 2.41 |
402.48 | 3.72 | 3.72 |
417.40 | 4.29 | 4.29 |
239.28 | 3.14 | 3.14 |
304.73 | 3.74 | 3.74 |
366.45 | 3.64 | 3.64 |
220.23 | 1.56 | 1.56 |
327.41 | 3.31 | 3.31 |
262.29 | 1.87 | 1.87 |
347.44 | 2.01 | 2.01 |
409.49 | 2.10 | 2.10 |
267.37 | 2.93 | 2.93 |
348.45 | 3.05 | 3.05 |
355.31 | 2.03 | 2.03 |
295.37 | 3.36 | 3.36 |
321.38 | 3.39 | 3.39 |
306.35 | 1.71 | 1.71 |
387.48 | 3.06 | 3.06 |
388.43 | 4.04 | 4.04 |
330.43 | 3.78 | 3.78 |
290.33 | 3.69 | 3.69 |
489.98 | 2.63 | 2.63 |
419.51 | 4.38 | 4.38 |
329.81 | 4.01 | 4.01 |
280.67 | 1.50 | 1.50 |
322.37 | 2.65 | 2.65 |
349.48 | 3.56 | 3.56 |
310.33 | 3.36 | 3.36 |
489.04 | 3.50 | 3.50 |
376.43 | 1.73 | 1.73 |
306.39 | 3.01 | 3.01 |
439.29 | 2.23 | 2.23 |
278.38 | 1.46 | 1.46 |
339.37 | 3.39 | 3.39 |
197.19 | 0.90 | 0.90 |
309.39 | 3.66 | 3.66 |
403.53 | 1.40 | 1.40 |
260.30 | 3.25 | 3.25 |
297.38 | 2.92 | 2.92 |
313.38 | 3.53 | 3.53 |
460.60 | 3.15 | 3.15 |
283.35 | 0.88 | 0.88 |
375.38 | 3.46 | 3.46 |
454.55 | 2.30 | 2.30 |
320.40 | 4.11 | 4.11 |
417.51 | 5.45 | 5.45 |
400.35 | 2.77 | 2.77 |
261.35 | 3.11 | 3.11 |
378.50 | 5.12 | 5.12 |
458.82 | 3.55 | 3.55 |
399.43 | 1.65 | 1.65 |
330.31 | 4.37 | 4.37 |
336.40 | 3.53 | 3.53 |
449.53 | 1.88 | 1.88 |
230.27 | 1.64 | 1.64 |
334.51 | 4.07 | 4.07 |
299.72 | 2.26 | 2.26 |
296.39 | 2.13 | 2.13 |
212.32 | 1.30 | 1.30 |
315.35 | 2.96 | 2.96 |
324.40 | 2.71 | 2.71 |
307.36 | 3.00 | 3.00 |
329.31 | 1.61 | 1.61 |
351.39 | 4.11 | 4.11 |
361.43 | 4.52 | 4.52 |
294.31 | 3.07 | 3.07 |
231.30 | 2.38 | 2.38 |
269.33 | 2.36 | 2.36 |
299.72 | 2.26 | 2.26 |
365.41 | 4.25 | 4.25 |
246.23 | 0.84 | 0.84 |
299.72 | 2.26 | 2.26 |
353.35 | 3.72 | 3.72 |
327.41 | 4.27 | 4.27 |
329.77 | 1.96 | 1.96 |
298.37 | 3.60 | 3.60 |
353.40 | 2.88 | 2.88 |
345.36 | 3.23 | 3.23 |
465.60 | 1.65 | 1.65 |
202.22 | 0.86 | 0.86 |
376.52 | 5.62 | 5.62 |
351.39 | 3.30 | 3.30 |
426.45 | 1.77 | 1.77 |
450.47 | 2.51 | 2.51 |
337.38 | 3.88 | 3.88 |
499.55 | 1.70 | 1.70 |
423.35 | 4.56 | 4.56 |
380.47 | 4.03 | 4.03 |
540.53 | 3.73 | 3.73 |
306.75 | 2.65 | 2.65 |
276.34 | 3.72 | 3.72 |
319.77 | 3.60 | 3.60 |
300.36 | 1.74 | 1.74 |
224.22 | 2.25 | 2.25 |
281.77 | 3.37 | 3.37 |
446.60 | 3.48 | 3.48 |
217.22 | 2.17 | 2.17 |
334.36 | 3.17 | 3.17 |
346.84 | 3.91 | 3.91 |
426.52 | 2.86 | 2.86 |
212.25 | -0.21 | -0.21 |
309.45 | 1.65 | 1.65 |
383.63 | 1.90 | 1.90 |
320.83 | 4.78 | 4.78 |
266.68 | 3.07 | 3.07 |
310.43 | 4.72 | 4.72 |
342.85 | 1.49 | 1.49 |
158.19 | -0.85 | -0.85 |
279.39 | 2.88 | 2.88 |
356.30 | 2.87 | 2.87 |
325.12 | 1.61 | 1.61 |
180.21 | 1.23 | 1.23 |
300.31 | 3.48 | 3.48 |
496.63 | 4.83 | 4.83 |
328.40 | 2.91 | 2.91 |
247.21 | 2.14 | 2.14 |
303.31 | 1.71 | 1.71 |
391.90 | 2.87 | 2.87 |
433.58 | 4.69 | 4.69 |
371.42 | 3.18 | 3.18 |
431.50 | 3.58 | 3.58 |
340.81 | 4.10 | 4.10 |
327.39 | 2.73 | 2.73 |
418.45 | 2.05 | 2.05 |
187.21 | 0.48 | 0.48 |
340.81 | 4.26 | 4.26 |
463.30 | 3.78 | 3.78 |
341.42 | 4.28 | 4.28 |
476.55 | 3.14 | 3.14 |
363.39 | 1.49 | 1.49 |
480.52 | 2.70 | 2.70 |
439.94 | 3.93 | 3.93 |
255.24 | 1.20 | 1.20 |
351.41 | 4.27 | 4.27 |
264.32 | 4.09 | 4.09 |
305.31 | 1.69 | 1.69 |
305.18 | 4.40 | 4.40 |
405.48 | 4.46 | 4.46 |
226.24 | 0.58 | 0.58 |
278.31 | 3.52 | 3.52 |
354.46 | 2.33 | 2.33 |
406.48 | 4.45 | 4.45 |
326.37 | 3.38 | 3.38 |
295.80 | 3.76 | 3.76 |
256.40 | 3.15 | 3.15 |
480.32 | 3.76 | 3.76 |
473.39 | 3.76 | 3.76 |
298.37 | 3.28 | 3.28 |
248.31 | 1.48 | 1.48 |
249.71 | 2.24 | 2.24 |
331.35 | 2.17 | 2.17 |
347.44 | 2.05 | 2.05 |
403.46 | 3.28 | 3.28 |
418.95 | 4.01 | 4.01 |
216.24 | 1.13 | 1.13 |
345.42 | 3.49 | 3.49 |
408.51 | 2.14 | 2.14 |
280.67 | 1.50 | 1.50 |
324.41 | 2.65 | 2.65 |
228.32 | 1.00 | 1.00 |
344.37 | 3.84 | 3.84 |
559.00 | 3.00 | 3.00 |
405.50 | 3.81 | 3.81 |
433.56 | 2.56 | 2.56 |
263.30 | 3.18 | 3.18 |
457.55 | 3.11 | 3.11 |
264.22 | 0.98 | 0.98 |
351.41 | 3.26 | 3.26 |
376.46 | 4.15 | 4.15 |
303.79 | 1.96 | 1.96 |
500.57 | 2.19 | 2.19 |
281.73 | 1.19 | 1.19 |
353.18 | 3.13 | 3.13 |
413.39 | 2.26 | 2.26 |
325.12 | 1.61 | 1.61 |
402.38 | 3.23 | 3.23 |
280.76 | 2.94 | 2.94 |
388.86 | 4.52 | 4.52 |
399.41 | 4.15 | 4.15 |
467.57 | 1.18 | 1.18 |
243.38 | 2.22 | 2.22 |
464.50 | 1.28 | 1.28 |
313.40 | 3.88 | 3.88 |
306.37 | 3.61 | 3.61 |
367.48 | 3.72 | 3.72 |
316.41 | 4.13 | 4.13 |
307.29 | 2.14 | 2.14 |
365.44 | 3.65 | 3.65 |
245.32 | 3.07 | 3.07 |
372.40 | 2.41 | 2.41 |
330.47 | 3.24 | 3.24 |
409.51 | 2.88 | 2.88 |
411.48 | 2.82 | 2.82 |
413.53 | 3.10 | 3.10 |
517.79 | 3.39 | 3.39 |
319.31 | 4.44 | 4.44 |
325.35 | 3.14 | 3.14 |
399.50 | 3.66 | 3.66 |
354.41 | 3.01 | 3.01 |
329.40 | 2.73 | 2.73 |
414.51 | 3.70 | 3.70 |
371.69 | 5.14 | 5.14 |
285.33 | 2.73 | 2.73 |
316.75 | 3.46 | 3.46 |
348.38 | 2.62 | 2.62 |
275.70 | 2.42 | 2.42 |
308.34 | 3.26 | 3.26 |
485.56 | 2.22 | 2.22 |
458.32 | 3.18 | 3.18 |
486.54 | 3.84 | 3.84 |
331.35 | 2.22 | 2.22 |
463.33 | 5.34 | 5.34 |
365.50 | 5.23 | 5.23 |
369.44 | 1.00 | 1.00 |
482.54 | 2.49 | 2.49 |
465.53 | 1.68 | 1.68 |
327.39 | 2.92 | 2.92 |
303.44 | 1.25 | 1.25 |
342.42 | 3.68 | 3.68 |
314.41 | 3.08 | 3.08 |
406.50 | 3.20 | 3.20 |
399.51 | 2.40 | 2.40 |
402.45 | 4.46 | 4.46 |
240.24 | 3.56 | 3.56 |
375.39 | 3.24 | 3.24 |
334.76 | 2.69 | 2.69 |
239.32 | 2.92 | 2.92 |
295.30 | 1.62 | 1.62 |
415.47 | 1.85 | 1.85 |
322.39 | 2.60 | 2.60 |
190.15 | 1.06 | 1.06 |
305.38 | 3.11 | 3.11 |
455.54 | 2.26 | 2.26 |
288.40 | 3.93 | 3.93 |
335.32 | 2.83 | 2.83 |
293.35 | 1.11 | 1.11 |
367.45 | 4.58 | 4.58 |
323.36 | 2.62 | 2.62 |
471.52 | 2.22 | 2.22 |
342.35 | 2.67 | 2.67 |
328.32 | 3.30 | 3.30 |
478.38 | 5.09 | 5.09 |
306.70 | 3.56 | 3.56 |
322.41 | 1.53 | 1.53 |
254.29 | 2.06 | 2.06 |
290.83 | 1.66 | 1.66 |
445.56 | 4.86 | 4.86 |
320.37 | 2.02 | 2.02 |
279.35 | 3.33 | 3.33 |
356.40 | 3.23 | 3.23 |
433.49 | 1.95 | 1.95 |
224.12 | 2.09 | 2.09 |
282.37 | 1.44 | 1.44 |
210.25 | 1.67 | 1.67 |
471.49 | 1.62 | 1.62 |
237.28 | 0.34 | 0.34 |
338.47 | 2.46 | 2.46 |
302.33 | 2.14 | 2.14 |
307.38 | 1.55 | 1.55 |
248.24 | 0.57 | 0.57 |
363.40 | 1.14 | 1.14 |
343.48 | 4.23 | 4.23 |
351.39 | 3.30 | 3.30 |
447.53 | 2.70 | 2.70 |
358.40 | 4.03 | 4.03 |
372.47 | 4.98 | 4.98 |
324.38 | 3.90 | 3.90 |
336.42 | 3.34 | 3.34 |
295.36 | 1.08 | 1.08 |
325.41 | 3.38 | 3.38 |
216.24 | 1.17 | 1.17 |
356.40 | 3.23 | 3.23 |
331.35 | 2.22 | 2.22 |
431.51 | 1.68 | 1.68 |
231.26 | 1.36 | 1.36 |
428.32 | 4.68 | 4.68 |
256.22 | 1.30 | 1.30 |
303.33 | 2.80 | 2.80 |
275.29 | 2.54 | 2.54 |
309.33 | 1.81 | 1.81 |
232.24 | 1.22 | 1.22 |
373.32 | 1.97 | 1.97 |
431.54 | 2.31 | 2.31 |
478.59 | 2.60 | 2.60 |
391.58 | 3.52 | 3.52 |
361.74 | 1.10 | 1.10 |
327.41 | 3.16 | 3.16 |
497.57 | 2.88 | 2.88 |
402.44 | 3.74 | 3.74 |
347.36 | -0.06 | -0.06 |
378.38 | 4.19 | 4.19 |
348.31 | 4.50 | 4.50 |
352.29 | 4.93 | 4.93 |
348.31 | 4.50 | 4.50 |
372.84 | 3.53 | 3.53 |
366.42 | 3.23 | 3.23 |
242.30 | 3.45 | 3.45 |
249.29 | 2.40 | 2.40 |
325.30 | 2.55 | 2.55 |
523.68 | 4.65 | 4.65 |
309.37 | 2.68 | 2.68 |
419.48 | 3.15 | 3.15 |
388.25 | 3.03 | 3.03 |
280.28 | 2.22 | 2.22 |
323.83 | 4.42 | 4.42 |
298.25 | 3.09 | 3.09 |
291.35 | 3.37 | 3.37 |
286.26 | 2.29 | 2.29 |
366.38 | 2.41 | 2.41 |
420.24 | 3.21 | 3.21 |
333.73 | 3.78 | 3.78 |
242.28 | 1.67 | 1.67 |
336.35 | 2.58 | 2.58 |
475.91 | 4.15 | 4.15 |
354.44 | 3.27 | 3.27 |
309.29 | 2.23 | 2.23 |
354.32 | 3.97 | 3.97 |