Basic Information
ID: ALA5139999
Type: Binding
Description: Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells assessed as change in relative fluorescence unit using MCA-TSAVLQSGFRK(DNP)M as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by microplate reader based FRET assay
Format: BAO_0000219
Organism: Severe acute respiratory syndrome coronavirus 2
Target: Replicase polyprotein 1ab(ALA4523582)
Document: ALA5137031
Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) cells assessed as change in relative fluorescence unit using MCA-TSAVLQSGFRK(DNP)M as substrate preincubated for 30 mins followed by substrate addition and measured after 2 hrs by microplate reader based FRET assay: 1
Activity Charts
Bioactivity
Activity Types for Assay ALA5139999
IC50
Compound Summary
| Parent Molecular Weight | ALogP | Polar Surface Area |
|---|---|---|
| 399.49 | 1.44 | 1.44 |
| 413.52 | 1.83 | 1.83 |
| 464.50 | 1.86 | 1.86 |
| 525.65 | 2.05 | 2.05 |
| 512.65 | 2.12 | 2.12 |
| 494.63 | 0.68 | 0.68 |
| 395.46 | 0.81 | 0.81 |
| 566.74 | 3.29 | 3.29 |
| 476.57 | 1.16 | 1.16 |
| 526.68 | 2.28 | 2.28 |
| 492.66 | 1.84 | 1.84 |
| 588.75 | 3.64 | 3.64 |
| 487.60 | 0.97 | 0.97 |
| 381.43 | 0.42 | 0.42 |
| 514.67 | 1.89 | 1.89 |
| 554.61 | 2.59 | 2.59 |
| 413.52 | 1.83 | 1.83 |
| 512.65 | 1.97 | 1.97 |
| 475.59 | 0.90 | 0.90 |
| 433.51 | 2.16 | 2.16 |
| 504.60 | 1.71 | 1.71 |
| 555.72 | 2.04 | 2.04 |
| 554.73 | 3.09 | 3.09 |
| 526.68 | 2.36 | 2.36 |
| 486.61 | 1.57 | 1.57 |
| 562.71 | 3.24 | 3.24 |
| 521.06 | 2.23 | 2.23 |
| 525.65 | 2.05 | 2.05 |
| 399.49 | 1.44 | 1.44 |
| 487.60 | 0.97 | 0.97 |
| 530.64 | 2.11 | 2.11 |
| 530.64 | 2.11 | 2.11 |
| 411.50 | 1.58 | 1.58 |
| 476.57 | 1.16 | 1.16 |
| 399.49 | 1.58 | 1.58 |
| 530.64 | 2.11 | 2.11 |
| 371.44 | 0.80 | 0.80 |
| 536.67 | 2.73 | 2.73 |
| 531.61 | 1.48 | 1.48 |
| 487.60 | 0.97 | 0.97 |
| 413.52 | 1.97 | 1.97 |
| 397.48 | 1.36 | 1.36 |
| 542.68 | 1.98 | 1.98 |