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Assay Detail

CHEMBL768258

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Binding
Inhibition of human immunodeficiency virus type 1 (HIV-1) protease enzyme.
ChEMBL ↗
37
Total Activities
36
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

Computational studies on HIV-1 protease inhibitors: influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models.
Jayatilleke PR, Nair AC, Zauhar R, Welsh WJ.
J Med Chem (2000) 43 : 4446 -4451
PubMed 11087569 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 37 8.09 10.22

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL136146 — — 1 10.22
CHEMBL138828 — — 1 10.00
CHEMBL138300 — — 1 9.80
CHEMBL136708 — — 2 9.75
CHEMBL337349 — — 1 9.72
CHEMBL433660 — — 1 9.64
CHEMBL137925 — — 1 9.60
CHEMBL21226 — — 1 9.60
CHEMBL337315 — — 1 9.59
CHEMBL342700 — — 1 9.57
CHEMBL139804 — — 1 9.54
CHEMBL343053 — — 1 9.51
CHEMBL423358 — — 1 9.28
CHEMBL342365 — — 1 9.22
CHEMBL317446 — — 1 9.16
CHEMBL342135 — — 1 9.16
CHEMBL136336 — — 1 8.89
CHEMBL422112 — — 1 8.27
CHEMBL108960 — — 1 8.11
CHEMBL138336 — — 1 8.02
CHEMBL138829 — — 1 7.56
CHEMBL21166 — — 1 7.47
CHEMBL2367850 — — 1 7.41
CHEMBL139756 — — 1 7.18
CHEMBL277034 — — 1 6.94
CHEMBL437643 — — 1 6.91
CHEMBL439725 — — 1 6.89
CHEMBL2367852 — — 1 6.84
CHEMBL2367848 — — 1 6.79
CHEMBL105299 — — 1 6.67

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL136146 — IC50 = 0.06026 nM 10.22
CHEMBL138828 — IC50 = 0.1 nM 10.00
CHEMBL138300 — IC50 = 0.1585 nM 9.80
CHEMBL136708 — IC50 = 0.1778 nM 9.75
CHEMBL337349 — IC50 = 0.1905 nM 9.72
CHEMBL433660 — IC50 = 0.2291 nM 9.64
CHEMBL21226 — IC50 = 0.2512 nM 9.60
CHEMBL137925 — IC50 = 0.2512 nM 9.60
CHEMBL337315 — IC50 = 0.257 nM 9.59
CHEMBL342700 — IC50 = 0.2692 nM 9.57
CHEMBL139804 — IC50 = 0.2884 nM 9.54
CHEMBL343053 — IC50 = 0.309 nM 9.51
CHEMBL423358 — IC50 = 0.5248 nM 9.28
CHEMBL342365 — IC50 = 0.6026 nM 9.22
CHEMBL317446 — IC50 = 0.6918 nM 9.16
CHEMBL342135 — IC50 = 0.6918 nM 9.16
CHEMBL136336 — IC50 = 1.288 nM 8.89
CHEMBL422112 — IC50 = 5.37 nM 8.27
CHEMBL108960 — IC50 = 7.762 nM 8.11
CHEMBL138336 — IC50 = 9.55 nM 8.02
CHEMBL138829 — IC50 = 27.54 nM 7.56
CHEMBL21166 — IC50 = 33.88 nM 7.47
CHEMBL2367850 — IC50 = 38.9 nM 7.41
CHEMBL136708 — IC50 = 40.74 nM 7.39
CHEMBL139756 — IC50 = 66.07 nM 7.18
CHEMBL277034 — IC50 = 114.82 nM 6.94
CHEMBL437643 — 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
CHEMBL336868 — IC50 = 562.34 nM 6.25
CHEMBL136707 — IC50 = 588.84 nM 6.23
CHEMBL2367851 — IC50 = 691.83 nM 6.16
CHEMBL342599 — IC50 = 1258.93 nM 5.90
CHEMBL136086 — IC50 = 2951.21 nM 5.53
CHEMBL106657 — IC50 = 30199.52 nM 4.52