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Assay Detail

CHEMBL765006

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Binding
Binding affinity against HIV-1 protease
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Cyclic HIV-1 protease inhibitors derived from mannitol: synthesis, inhibitory potencies, and computational predictions of binding affinities.
Hultén J, Bonham NM, Nillroth U, Hansson T, Zuccarello G, Bouzide A, Aqvist J, Classon B, Danielson UH, Karlén A, Kvarnström I, Samuelsson B, Hallberg A.
J Med Chem (1997) 40 : 885 -897
PubMed 9083477 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 7 7.94 9.64

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL354502 1 9.64
CHEMBL21145 DMP-323 1 9.57
CHEMBL171148 1 7.91
CHEMBL170517 1 7.83
CHEMBL130998 1 7.72
CHEMBL69731 1 6.67
CHEMBL355782 1 6.24

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL354502 Ki = 0.23 nM 9.64
CHEMBL21145 DMP-323 Ki = 0.27 nM 9.57
CHEMBL171148 Ki = 12.2 nM 7.91
CHEMBL170517 Ki = 14.7 nM 7.83
CHEMBL130998 Ki = 19.1 nM 7.72
CHEMBL69731 Ki = 214.0 nM 6.67
CHEMBL355782 Ki = 570.0 nM 6.24