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Assay Detail

CHEMBL691399

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

Binding
Inhibition of human immunodeficiency virus type 1 (HIV-1) protease
13
Total Activities
13
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Novel conformationally constrained HIV-1 protease inhibitors: rational design, enzyme inhibition, and X-ray structure of an enzyme-inhibtor complex
Kim B, Vacca JP, Fitzgerald PM, Darke PL, Holloway M, Guare JP, Hanifin CM, Arford-Bickerstaff DJ, Zugay JA, Wai JM, Anderson PS, Huff JR
Bioorg Med Chem Lett (1994) 4 : 2199 -2204
· DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 13 5.39 6.66

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL273775 1 6.66
CHEMBL69604 1 6.60
CHEMBL68528 1 6.22
CHEMBL306640 1 5.84
CHEMBL419262 1 5.22
CHEMBL69243 1 4.57
CHEMBL69250 1 4.53
CHEMBL304135 1 4.43
CHEMBL69362 1 4.41
CHEMBL304732 1 -
CHEMBL69538 1 -
CHEMBL304594 1 -
CHEMBL305836 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL273775 IC50 = 220.0 nM 6.66
CHEMBL69604 IC50 = 250.0 nM 6.60
CHEMBL68528 IC50 = 600.0 nM 6.22
CHEMBL306640 IC50 = 1460.0 nM 5.84
CHEMBL419262 IC50 = 6000.0 nM 5.22
CHEMBL69243 IC50 = 26700.0 nM 4.57
CHEMBL69250 IC50 = 29700.0 nM 4.53
CHEMBL304135 IC50 = 37000.0 nM 4.43
CHEMBL69362 IC50 = 38700.0 nM 4.41
CHEMBL304732 IC50 > 100000.0 nM -
CHEMBL69538 IC50 > 100000.0 nM -
CHEMBL304594 IC50 > 100000.0 nM -
CHEMBL305836 IC50 > 100000.0 nM -