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Assay Detail

CHEMBL4703740

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

Binding
Reversible inhibition of SARS coronavirus Urbani 3CL protease(9985 to 10902) using TAMRA-SITSAVLQSGFRKMK(DABCYL)-OH as substrate measured for 10 mins by FRET assay
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism SARS coronavirus Urbani
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
Hoffman RL,Kania RS,Brothers MA,Davies JF,Ferre RA,Gajiwala KS,He M,Hogan RJ,Kozminski K,Li LY,Lockner JW,Lou J,Marra MT,Mitchell LJ,Murray BW,Nieman JA,Noell S,Planken SP,Rowe T,Ryan K,Smith GJ,Solowiej JE,Steppan CM,Taggart B
J Med Chem (2020) 63 : 12725 -12747
PubMed 33054210 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 16 7.30 8.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4777223 PF-00835231 -1.0 1 8.40
CHEMBL4756136 1 8.15
CHEMBL4747979 1 7.70
CHEMBL4754028 1 7.70
CHEMBL4763680 1 7.47
CHEMBL4763264 1 7.46
CHEMBL4783620 1 7.42
CHEMBL4797483 1 7.36
CHEMBL4785436 1 7.28
CHEMBL4740807 1 7.08
CHEMBL4740540 1 7.04
CHEMBL4764415 1 6.99
CHEMBL4759976 1 6.98
CHEMBL4787711 1 6.95
CHEMBL4743032 1 6.88
CHEMBL4750381 1 5.97

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4777223 PF-00835231 IC50 = 4.0 nM 8.40
CHEMBL4756136 IC50 = 7.0 nM 8.15
CHEMBL4747979 IC50 = 20.0 nM 7.70
CHEMBL4754028 IC50 = 20.0 nM 7.70
CHEMBL4763680 IC50 = 34.0 nM 7.47
CHEMBL4763264 IC50 = 35.0 nM 7.46
CHEMBL4783620 IC50 = 38.0 nM 7.42
CHEMBL4797483 IC50 = 44.0 nM 7.36
CHEMBL4785436 IC50 = 53.0 nM 7.28
CHEMBL4740807 IC50 = 83.0 nM 7.08
CHEMBL4740540 IC50 = 91.0 nM 7.04
CHEMBL4764415 IC50 = 103.0 nM 6.99
CHEMBL4759976 IC50 = 105.0 nM 6.98
CHEMBL4787711 IC50 = 112.0 nM 6.95
CHEMBL4743032 IC50 = 131.0 nM 6.88
CHEMBL4750381 IC50 = 1076.0 nM 5.97