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Assay Detail

CHEMBL769378

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

Binding
Inhibition of HIV-1 protease in vitro.
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Confidence 8 — Homologous single protein target
Curated By Expert

Target

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

Publication

Identification of MK-944a: a second clinical candidate from the hydroxylaminepentanamide isostere series of HIV protease inhibitors.
Dorsey BD, McDonough C, McDaniel SL, Levin RB, Newton CL, Hoffman JM, Darke PL, Zugay-Murphy JA, Emini EA, Schleif WA, Olsen DB, Stahlhut MW, Rutkowski CA, Kuo LC, Lin JH, Chen IW, Michelson SR, Holloway MK, Huff JR, Vacca JP.
J Med Chem (2000) 43 : 3386 -3399
PubMed 10978186 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 9.41 9.96

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL113845 1 9.96
CHEMBL96645 1 9.92
CHEMBL325951 1 9.85
CHEMBL408413 1 9.77
CHEMBL1233940 L 756423 2.0 1 9.74
CHEMBL325013 1 9.72
CHEMBL324025 1 9.66
CHEMBL325181 1 9.60
CHEMBL112257 1 9.59
CHEMBL324516 1 9.49
CHEMBL2062137 1 9.46
CHEMBL325354 1 9.41
CHEMBL1735 INDINAVIR SULFATE 4.0 1 9.39
CHEMBL114834 1 9.33
CHEMBL116107 1 9.31
CHEMBL333607 1 9.21
CHEMBL325946 1 9.17
CHEMBL323882 1 8.96
CHEMBL332498 1 8.77
CHEMBL325395 1 8.77
CHEMBL325267 1 8.47

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL113845 IC50 = 0.11 nM 9.96
CHEMBL96645 IC50 = 0.12 nM 9.92
CHEMBL325951 IC50 = 0.14 nM 9.85
CHEMBL408413 IC50 = 0.17 nM 9.77
CHEMBL1233940 L 756423 IC50 = 0.18 nM 9.74
CHEMBL325013 IC50 = 0.19 nM 9.72
CHEMBL324025 IC50 = 0.22 nM 9.66
CHEMBL325181 IC50 = 0.25 nM 9.60
CHEMBL112257 IC50 = 0.26 nM 9.59
CHEMBL324516 IC50 = 0.32 nM 9.49
CHEMBL2062137 IC50 = 0.35 nM 9.46
CHEMBL325354 IC50 = 0.39 nM 9.41
CHEMBL1735 INDINAVIR SULFATE IC50 = 0.41 nM 9.39
CHEMBL114834 IC50 = 0.47 nM 9.33
CHEMBL116107 IC50 = 0.49 nM 9.31
CHEMBL333607 IC50 = 0.62 nM 9.21
CHEMBL325946 IC50 = 0.68 nM 9.17
CHEMBL323882 IC50 = 1.1 nM 8.96
CHEMBL332498 IC50 = 1.7 nM 8.77
CHEMBL325395 IC50 = 1.7 nM 8.77
CHEMBL325267 IC50 = 3.4 nM 8.47