Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL5043050

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of SARS-CoV-1 3CL protease expressed in Escherichia coli using HiyteFluor-488ESATLQSGLRKAK-(QXL)-NH2 as substrate incubated for 30 min by FRET assay
ChEMBL ↗
37
Total Activities
37
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Severe acute respiratory syndrome-related coronavirus
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545) ↗
Type UNCHECKED

Publication

Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL<sup>pro</sup>).
Han SH, Goins CM, Arya T, Shin WJ, Maw J, Hooper A, Sonawane DP, Porter MR, Bannister BE, Crouch RD, Lindsey AA, Lakatos G, Martinez SR, Alvarado J, Akers WS, Wang NS, Jung JU, Macdonald JD, Stauffer SR.
J Med Chem (2022) 65 : 2880 -2904
PubMed 34347470 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 5.96 7.72

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5087481 — — 1 7.72
CHEMBL5087632 — — 1 7.13
CHEMBL5087019 — — 1 6.96
CHEMBL5092270 — — 1 6.96
CHEMBL5092107 — — 1 6.83
CHEMBL5094026 — — 1 6.69
CHEMBL5076577 — — 1 6.68
CHEMBL5090994 — — 1 6.67
CHEMBL5075764 — — 1 6.60
CHEMBL5075864 — — 1 6.48
CHEMBL5081675 — — 1 6.47
CHEMBL5085563 — — 1 6.43
CHEMBL5090306 — — 1 6.42
CHEMBL5091251 — — 1 6.38
CHEMBL5081793 — — 1 6.18
CHEMBL5078759 — — 1 6.11
CHEMBL5077568 — — 1 6.11
CHEMBL5080577 — — 1 6.05
CHEMBL2442056 — — 1 6.03
CHEMBL5079247 — — 1 6.00
CHEMBL5092627 — — 1 5.95
CHEMBL5092180 — — 1 5.85
CHEMBL2442054 — — 1 5.80
CHEMBL5090723 — — 1 5.61
CHEMBL2442055 — — 1 5.51
CHEMBL2442081 — — 1 5.39
CHEMBL5069704 — — 1 5.38
CHEMBL5080879 — — 1 5.31
CHEMBL2442082 — — 1 5.21
CHEMBL5088867 — — 1 5.10

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5087481 — IC50 = 19.0 nM 7.72
CHEMBL5087632 — IC50 = 74.0 nM 7.13
CHEMBL5092270 — IC50 = 109.0 nM 6.96
CHEMBL5087019 — IC50 = 111.0 nM 6.96
CHEMBL5092107 — IC50 = 148.0 nM 6.83
CHEMBL5094026 — IC50 = 206.0 nM 6.69
CHEMBL5076577 — IC50 = 208.0 nM 6.68
CHEMBL5090994 — IC50 = 214.0 nM 6.67
CHEMBL5075764 — IC50 = 250.0 nM 6.60
CHEMBL5075864 — IC50 = 334.0 nM 6.48
CHEMBL5081675 — IC50 = 336.0 nM 6.47
CHEMBL5085563 — IC50 = 370.0 nM 6.43
CHEMBL5090306 — IC50 = 380.0 nM 6.42
CHEMBL5091251 — IC50 = 418.0 nM 6.38
CHEMBL5081793 — IC50 = 657.0 nM 6.18
CHEMBL5078759 — IC50 = 780.0 nM 6.11
CHEMBL5077568 — IC50 = 780.0 nM 6.11
CHEMBL5080577 — IC50 = 900.0 nM 6.05
CHEMBL2442056 — IC50 = 930.0 nM 6.03
CHEMBL5079247 — IC50 = 1000.0 nM 6.00
CHEMBL5092627 — IC50 = 1130.0 nM 5.95
CHEMBL5092180 — IC50 = 1400.0 nM 5.85
CHEMBL2442054 — IC50 = 1570.0 nM 5.80
CHEMBL5090723 — IC50 = 2440.0 nM 5.61
CHEMBL2442055 — IC50 = 3090.0 nM 5.51
CHEMBL2442081 — IC50 = 4100.0 nM 5.39
CHEMBL5069704 — IC50 = 4210.0 nM 5.38
CHEMBL5080879 — IC50 = 4870.0 nM 5.31
CHEMBL2442082 — IC50 = 6200.0 nM 5.21
CHEMBL5088867 — IC50 = 7980.0 nM 5.10
CHEMBL5091889 — IC50 = 11310.0 nM 4.95
CHEMBL5087978 — IC50 = 16550.0 nM 4.78
CHEMBL2442057 — IC50 = 16820.0 nM 4.77
CHEMBL5092984 — IC50 = 19730.0 nM 4.71
CHEMBL5073234 — IC50 = 20500.0 nM 4.69
CHEMBL5093242 — IC50 = 22780.0 nM 4.64
CHEMBL5076341 — IC50 > 200000.0 nM -