Skip to main content
Free research Free research Free assay review with research home and workspace preview
Quick search ChEMBL 36
Assay Detail

CHEMBL4136669

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

Binding
Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins followed by substrate addition measured after 1 hr by mass spectrometric method
4
Total Activities
4
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 Intermediate

Target

Protease (CHEMBL2366517)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Design and Synthesis of Piperazine Sulfonamide Cores Leading to Highly Potent HIV-1 Protease Inhibitors.
Bungard CJ, Williams PD, Schulz J, Wiscount CM, Holloway MK, Loughran HM, Manikowski JJ, Su HP, Bennett DJ, Chang L, Chu XJ, Crespo A, Dwyer MP, Keertikar K, Morriello GJ, Stamford AW, Waddell ST, Zhong B, Hu B, Ji T, Diamond TL, Bahnck-Teets C, Carroll SS, Fay JF, Min X, Morris W, Ballard JE, Miller MD, McCauley JA.
ACS Med Chem Lett (2017) 8 : 1292 -1297
PubMed 29259750 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 4 10.34 10.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4177355 1 10.92
CHEMBL1323 DARUNAVIR 4.0 1 10.89
CHEMBL1163 ATAZANAVIR 4.0 1 10.40
CHEMBL3828743 1 9.15

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4177355 IC50 = 0.012 nM 10.92
CHEMBL1323 DARUNAVIR IC50 = 0.013 nM 10.89
CHEMBL1163 ATAZANAVIR IC50 = 0.04 nM 10.40
CHEMBL3828743 IC50 = 0.7 nM 9.15