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Assay Detail

CHEMBL4387677

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

Binding
Inhibition of HIV1 protease using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 substrate by continuous fluorometric assay
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 Autocuration

Target

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

Publication

Potent HIV-1 protease inhibitors incorporating squaramide-derived P2 ligands: Design, synthesis, and biological evaluation.
Ghosh AK, Williams JN, Kovela S, Takayama J, Simpson HM, Walters DE, Hattori SI, Aoki M, Mitsuya H.
Bioorg Med Chem Lett (2019) 29 : 2565 -2570
PubMed 31416666 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 13 7.32 10.80

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL1323 DARUNAVIR 4.0 1 10.80
CHEMBL4444017 1 9.29
CHEMBL4456725 1 8.35
CHEMBL4467544 1 8.25
CHEMBL4445644 1 7.51
CHEMBL4469790 1 7.26
CHEMBL4570048 1 6.70
CHEMBL4474819 1 6.70
CHEMBL4440087 1 6.64
CHEMBL4558365 1 6.40
CHEMBL4437581 1 6.33
CHEMBL4556792 1 5.71
CHEMBL4467187 1 5.21

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL1323 DARUNAVIR Ki = 0.016 nM 10.80
CHEMBL4444017 Ki = 0.51 nM 9.29
CHEMBL4456725 Ki = 4.5 nM 8.35
CHEMBL4467544 Ki = 5.6 nM 8.25
CHEMBL4445644 Ki = 31.1 nM 7.51
CHEMBL4469790 Ki = 54.8 nM 7.26
CHEMBL4570048 Ki = 201.0 nM 6.70
CHEMBL4474819 Ki = 199.9 nM 6.70
CHEMBL4440087 Ki = 226.4 nM 6.64
CHEMBL4558365 Ki = 396.6 nM 6.40
CHEMBL4437581 Ki = 463.3 nM 6.33
CHEMBL4556792 Ki = 1957.0 nM 5.71
CHEMBL4467187 Ki = 6099.0 nM 5.21