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Assay Detail

CHEMBL5043060

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

ADMET
Inhibition of CYP2D6 (unknown origin)
1
Total Activities
1
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Cytochrome P450 2D6 (CHEMBL289)
Type SINGLE PROTEIN
Organism Homo sapiens

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 1 5.08 5.08

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL2442081 1 5.08

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL2442081 IC50 = 8400.0 nM 5.08