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Assay Detail

CHEMBL5229290

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

Binding
Inhibition of HIV1 protease
7
Total Activities
6
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Human immunodeficiency virus 1
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Human immunodeficiency virus type 1 protease (CHEMBL243)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Pseudoprolines as stereoelectronically tunable proline isosteres.
Kashif Khan R, Meanwell NA, Hager HH.
Bioorg Med Chem Lett (2022) 75 : 128983 -128983
PubMed 36096342 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 7.87 8.55
Ki 2 9.31 9.48

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL300891 1 9.48
CHEMBL414640 2 9.13
CHEMBL5280289 1 8.55
CHEMBL5271231 1 8.06
CHEMBL5270344 1 7.51
CHEMBL3349847 1 7.05

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL300891 Ki = 0.33 nM 9.48
CHEMBL414640 Ki = 0.74 nM 9.13
CHEMBL5280289 IC50 = 2.8 nM 8.55
CHEMBL414640 IC50 = 6.5 nM 8.19
CHEMBL5271231 IC50 = 8.8 nM 8.06
CHEMBL5270344 IC50 = 31.0 nM 7.51
CHEMBL3349847 IC50 = 89.0 nM 7.05