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Assay Detail

CHEMBL769361

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Binding
Tested for inhibition of HIV protease
18
Total Activities
14
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

Structure-based design of HIV protease inhibitors: sulfonamide-containing 5,6-dihydro-4-hydroxy-2-pyrones as non-peptidic inhibitors.
Thaisrivongs S, Skulnick HI, Turner SR, Strohbach JW, Tommasi RA, Johnson PD, Aristoff PA, Judge TM, Gammill RB, Morris JK, Romines KR, Chrusciel RA, Hinshaw RR, Chong KT, Tarpley WG, Poppe SM, Slade DE, Lynn JC, Horng MM, Tomich PK, Seest EP, Dolak LA, Howe WJ, Howard GM, Watenpaugh KD.
J Med Chem (1996) 39 : 4349 -4353
PubMed 8893827 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 18 6.35 7.52

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL222559 TIPRANAVIR 4.0 1 7.52
CHEMBL2112565 1 7.40
CHEMBL2111769 1 6.96
CHEMBL2092978 4 6.89
CHEMBL2112563 1 6.85
CHEMBL2111768 2 6.39
CHEMBL2092977 1 6.31
CHEMBL20846 1 6.00
CHEMBL21281 1 5.96
CHEMBL326566 1 5.92
CHEMBL115743 1 5.80
CHEMBL2062136 1 5.70
CHEMBL22164 1 5.52
CHEMBL2111770 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL222559 TIPRANAVIR IC50 = 30.0 nM 7.52
CHEMBL2112565 IC50 = 40.0 nM 7.40
CHEMBL2111769 IC50 = 110.0 nM 6.96
CHEMBL2092978 IC50 = 130.0 nM 6.89
CHEMBL2112563 IC50 = 140.0 nM 6.85
CHEMBL2111768 IC50 = 410.0 nM 6.39
CHEMBL2092977 IC50 = 490.0 nM 6.31
CHEMBL2092978 IC50 = 580.0 nM 6.24
CHEMBL20846 IC50 = 1000.0 nM 6.00
CHEMBL21281 IC50 = 1100.0 nM 5.96
CHEMBL326566 IC50 = 1200.0 nM 5.92
CHEMBL115743 IC50 = 1600.0 nM 5.80
CHEMBL2111768 IC50 = 1700.0 nM 5.77
CHEMBL2062136 IC50 = 2000.0 nM 5.70
CHEMBL22164 IC50 = 3000.0 nM 5.52
CHEMBL2092978 IC50 > 1000.0 nM -
CHEMBL2111770 IC50 > 1000.0 nM -
CHEMBL2092978 IC50 > 1000.0 nM -