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Assay Detail

CHEMBL877854

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

Binding
Inhibitory activity against HIV-1 protease.
ChEMBL ↗
49
Total Activities
49
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

Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design.
Pérez C, Pastor M, Ortiz AR, Gago F.
J Med Chem (1998) 41 : 836 -852
PubMed 9526559 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 49 7.97 10.27

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL17612 — — 1 10.27
CHEMBL319408 — — 1 10.22
CHEMBL419923 — — 1 10.00
CHEMBL298316 — — 1 9.80
CHEMBL297620 — — 1 9.77
CHEMBL111143 — — 1 9.75
CHEMBL322984 — — 1 9.72
CHEMBL265514 — — 1 9.64
CHEMBL114 SAQUINAVIR 4.0 1 9.64
CHEMBL108918 — — 1 9.60
CHEMBL296115 — — 1 9.60
CHEMBL296484 — — 1 9.59
CHEMBL295904 — — 1 9.57
CHEMBL265516 — — 1 9.54
CHEMBL296493 — — 1 9.51
CHEMBL430692 — — 1 9.28
CHEMBL47514 — — 1 9.22
CHEMBL325551 — — 1 9.16
CHEMBL109952 — — 1 9.16
CHEMBL296855 — — 1 9.14
CHEMBL322037 — — 1 8.89
CHEMBL268512 — — 1 8.27
CHEMBL312788 — — 1 8.27
CHEMBL355291 — — 1 8.12
CHEMBL108960 — — 1 8.11
CHEMBL167022 — — 1 8.02
CHEMBL321641 — — 1 7.56
CHEMBL325107 — — 1 7.47
CHEMBL2367850 — — 1 7.41
CHEMBL110348 — — 1 7.39

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL17612 — IC50 = 0.0537 nM 10.27
CHEMBL319408 — IC50 = 0.06026 nM 10.22
CHEMBL419923 — IC50 = 0.1 nM 10.00
CHEMBL298316 — IC50 = 0.1585 nM 9.80
CHEMBL297620 — IC50 = 0.1698 nM 9.77
CHEMBL111143 — IC50 = 0.1778 nM 9.75
CHEMBL322984 — IC50 = 0.1905 nM 9.72
CHEMBL265514 — IC50 = 0.2291 nM 9.64
CHEMBL114 SAQUINAVIR IC50 = 0.2291 nM 9.64
CHEMBL108918 — IC50 = 0.2512 nM 9.60
CHEMBL296115 — IC50 = 0.2512 nM 9.60
CHEMBL296484 — IC50 = 0.257 nM 9.59
CHEMBL295904 — IC50 = 0.2692 nM 9.57
CHEMBL265516 — IC50 = 0.2884 nM 9.54
CHEMBL296493 — IC50 = 0.309 nM 9.51
CHEMBL430692 — IC50 = 0.5248 nM 9.28
CHEMBL47514 — IC50 = 0.6026 nM 9.22
CHEMBL325551 — IC50 = 0.6918 nM 9.16
CHEMBL109952 — IC50 = 0.6918 nM 9.16
CHEMBL296855 — IC50 = 0.7244 nM 9.14
CHEMBL322037 — IC50 = 1.288 nM 8.89
CHEMBL268512 — IC50 = 5.37 nM 8.27
CHEMBL312788 — IC50 = 5.37 nM 8.27
CHEMBL355291 — IC50 = 7.586 nM 8.12
CHEMBL108960 — IC50 = 7.762 nM 8.11
CHEMBL167022 — IC50 = 9.55 nM 8.02
CHEMBL321641 — IC50 = 27.54 nM 7.56
CHEMBL325107 — IC50 = 33.88 nM 7.47
CHEMBL2367850 — IC50 = 38.9 nM 7.41
CHEMBL110348 — IC50 = 40.74 nM 7.39
CHEMBL106530 — IC50 = 52.48 nM 7.28
CHEMBL107369 — IC50 = 66.07 nM 7.18
CHEMBL277034 — IC50 = 114.82 nM 6.94
CHEMBL108471 — IC50 = 123.03 nM 6.91
CHEMBL439725 — IC50 = 128.82 nM 6.89
CHEMBL2367852 — IC50 = 144.54 nM 6.84
CHEMBL2367848 — IC50 = 162.18 nM 6.79
CHEMBL105299 — IC50 = 213.8 nM 6.67
CHEMBL69604 — IC50 = 229.09 nM 6.64
CHEMBL168314 — IC50 = 562.34 nM 6.25
CHEMBL107259 — IC50 = 588.84 nM 6.23
CHEMBL2367851 — IC50 = 691.83 nM 6.16
CHEMBL111175 — IC50 = 1258.93 nM 5.90
CHEMBL9618 — IC50 = 1380.38 nM 5.86
CHEMBL110385 — IC50 = 2951.21 nM 5.53
CHEMBL82338 — IC50 = 3019.95 nM 5.52
CHEMBL106005 — IC50 = 4677.35 nM 5.33
CHEMBL323225 — IC50 = 6760.83 nM 5.17
CHEMBL106657 — IC50 = 30199.52 nM 4.52