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Assay Detail

CHEMBL768259

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

Binding
Inhibitory activity against HIV-1 protease
ChEMBL ↗
60
Total Activities
60
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 tetrahydropyrimidine-2-one HIV-1 protease inhibitors: improving three-dimensional quantitative structure-activity relationship comparative molecular field analysis models by inclusion of calculated inhibitor- and receptor-based properties.
Nair AC, Jayatilleke P, Wang X, Miertus S, Welsh WJ.
J Med Chem (2002) 45 : 973 -983
PubMed 11831910 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 60 8.80 11.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL36900 — — 1 11.00
CHEMBL284942 — — 1 10.70
CHEMBL416783 — — 1 10.70
CHEMBL288254 — — 1 10.70
CHEMBL116517 — — 1 10.70
CHEMBL291004 — — 1 10.52
CHEMBL324293 — — 1 10.52
CHEMBL290331 — — 1 10.22
CHEMBL366576 — — 1 10.22
CHEMBL416612 — — 1 10.22
CHEMBL113884 — — 1 10.10
CHEMBL290362 — — 1 10.10
CHEMBL284340 — — 1 10.05
CHEMBL290254 — — 1 10.00
CHEMBL446395 — — 1 10.00
CHEMBL264852 — — 1 10.00
CHEMBL37593 — — 1 10.00
CHEMBL290074 — — 1 9.89
CHEMBL288261 — — 1 9.82
CHEMBL286159 — — 1 9.62
CHEMBL286390 — — 1 9.60
CHEMBL36581 — — 1 9.55
CHEMBL289762 — — 1 9.52
CHEMBL284941 — — 1 9.51
CHEMBL36437 — — 1 9.42
CHEMBL432093 — — 1 9.39
CHEMBL285871 — — 1 9.31
CHEMBL431321 — — 1 9.19
CHEMBL286693 — — 1 9.04
CHEMBL37472 — — 1 8.92

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL36900 — Ki = 0.01 nM 11.00
CHEMBL284942 — Ki = 0.01995 nM 10.70
CHEMBL116517 — Ki = 0.01995 nM 10.70
CHEMBL416783 — Ki = 0.01995 nM 10.70
CHEMBL288254 — Ki = 0.01995 nM 10.70
CHEMBL291004 — Ki = 0.0302 nM 10.52
CHEMBL324293 — Ki = 0.0302 nM 10.52
CHEMBL290331 — Ki = 0.06026 nM 10.22
CHEMBL366576 — Ki = 0.06026 nM 10.22
CHEMBL416612 — Ki = 0.06026 nM 10.22
CHEMBL113884 — Ki = 0.07943 nM 10.10
CHEMBL290362 — Ki = 0.07943 nM 10.10
CHEMBL284340 — Ki = 0.08913 nM 10.05
CHEMBL264852 — Ki = 0.1 nM 10.00
CHEMBL446395 — Ki = 0.1 nM 10.00
CHEMBL290254 — Ki = 0.1 nM 10.00
CHEMBL37593 — Ki = 0.1 nM 10.00
CHEMBL290074 — Ki = 0.1288 nM 9.89
CHEMBL288261 — Ki = 0.1514 nM 9.82
CHEMBL286159 — Ki = 0.2399 nM 9.62
CHEMBL286390 — Ki = 0.2512 nM 9.60
CHEMBL36581 — Ki = 0.2818 nM 9.55
CHEMBL289762 — Ki = 0.302 nM 9.52
CHEMBL284941 — Ki = 0.309 nM 9.51
CHEMBL36437 — Ki = 0.3802 nM 9.42
CHEMBL432093 — Ki = 0.4074 nM 9.39
CHEMBL285871 — Ki = 0.4898 nM 9.31
CHEMBL431321 — Ki = 0.6457 nM 9.19
CHEMBL286693 — Ki = 0.912 nM 9.04
CHEMBL37472 — Ki = 1.202 nM 8.92
CHEMBL289907 — Ki = 1.413 nM 8.85
CHEMBL416964 — Ki = 1.413 nM 8.85
CHEMBL289393 — Ki = 1.585 nM 8.80
CHEMBL36862 — Ki = 1.698 nM 8.77
CHEMBL36939 — Ki = 2.57 nM 8.59
CHEMBL285282 — Ki = 4.898 nM 8.31
CHEMBL38281 — Ki = 5.623 nM 8.25
CHEMBL288513 — Ki = 6.166 nM 8.21
CHEMBL39592 — Ki = 7.943 nM 8.10
CHEMBL38339 — Ki = 10.96 nM 7.96
CHEMBL37033 — Ki = 10.96 nM 7.96
CHEMBL37313 — Ki = 12.02 nM 7.92
CHEMBL37083 — Ki = 14.13 nM 7.85
CHEMBL37701 — Ki = 14.13 nM 7.85
CHEMBL37639 — Ki = 15.14 nM 7.82
CHEMBL39749 — Ki = 15.14 nM 7.82
CHEMBL289715 — Ki = 22.91 nM 7.64
CHEMBL286596 — Ki = 22.91 nM 7.64
CHEMBL289934 — Ki = 33.11 nM 7.48
CHEMBL287520 — Ki = 39.81 nM 7.40