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Assay Detail

CHEMBL765178

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Binding
Inhibitory concentration against HIV-1 protease
23
Total Activities
23
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

Design and synthesis of potent C(2)-symmetric diol-based HIV-1 protease inhibitors: effects of fluoro substitution.
Pyring D, Lindberg J, Rosenquist A, Zuccarello G, Kvarnström I, Zhang H, Vrang L, Unge T, Classon B, Hallberg A, Samuelsson B.
J Med Chem (2001) 44 : 3083 -3091
PubMed 11543677 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 23 8.75 9.64

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL114 SAQUINAVIR 4.0 1 9.64
CHEMBL584 NELFINAVIR 4.0 1 9.64
CHEMBL105459 1 9.10
CHEMBL163 RITONAVIR 4.0 1 9.09
CHEMBL107965 1 8.95
CHEMBL317031 1 8.91
CHEMBL320893 1 8.89
CHEMBL431422 1 8.79
CHEMBL322669 1 8.78
CHEMBL105138 1 8.76
CHEMBL317263 1 8.75
CHEMBL102228 1 8.74
CHEMBL322026 1 8.72
CHEMBL104324 1 8.70
CHEMBL431648 1 8.70
CHEMBL103927 1 8.70
CHEMBL422961 1 8.49
CHEMBL431241 1 8.48
CHEMBL317236 1 8.41
CHEMBL319704 1 8.40
CHEMBL317690 1 8.30
CHEMBL107428 1 8.27
CHEMBL320936 1 8.15

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL114 SAQUINAVIR Ki = 0.23 nM 9.64
CHEMBL584 NELFINAVIR Ki = 0.23 nM 9.64
CHEMBL105459 Ki = 0.8 nM 9.10
CHEMBL163 RITONAVIR Ki = 0.82 nM 9.09
CHEMBL107965 Ki = 1.12 nM 8.95
CHEMBL317031 Ki = 1.22 nM 8.91
CHEMBL320893 Ki = 1.28 nM 8.89
CHEMBL431422 Ki = 1.64 nM 8.79
CHEMBL322669 Ki = 1.65 nM 8.78
CHEMBL105138 Ki = 1.73 nM 8.76
CHEMBL317263 Ki = 1.79 nM 8.75
CHEMBL102228 Ki = 1.83 nM 8.74
CHEMBL322026 Ki = 1.92 nM 8.72
CHEMBL104324 Ki = 1.98 nM 8.70
CHEMBL431648 Ki = 1.98 nM 8.70
CHEMBL103927 Ki = 1.98 nM 8.70
CHEMBL422961 Ki = 3.26 nM 8.49
CHEMBL431241 Ki = 3.29 nM 8.48
CHEMBL317236 Ki = 3.9 nM 8.41
CHEMBL319704 Ki = 4.0 nM 8.40
CHEMBL317690 Ki = 5.0 nM 8.30
CHEMBL107428 Ki = 5.39 nM 8.27
CHEMBL320936 Ki = 7.13 nM 8.15