Assay Detail

CHEMBL914874

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

Binding

Inhibition of HIV1 protease

ChEMBL ↗

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Target

Unchecked (CHEMBL612545) ↗

Open DB target context

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Primary target Unchecked

CHEMBL612545

Anchored from Assay target.

Protein identity Unchecked

Disease frame Disease evidence pending

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Review focus Open DB context pending

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Total Activities

Compounds Tested

Activity Types

Assay Parameters

Assay Information

Assay Type	Binding
Organism	Human immunodeficiency virus 1
Confidence	0 — Uncurated / Unknown
Curated By	Autocuration

Target

Unchecked (CHEMBL612545) ↗

Type

UNCHECKED

Publication

A combined QM/MM approach to protein--ligand interactions: polarization effects of the HIV-1 protease on selected high affinity inhibitors.

Hensen C, Hermann JC, Nam K, Ma S, Gao J, Höltje HD.
J Med Chem (2004) 47 : 6673 -6680
PubMed 15615516 · DOI

Activity Statistics

Type	Count	Avg pChEMBL	Best pChEMBL
Ki	3	9.47	9.55

Compounds Tested

Compound	Name	Phase	Activities	Best pChEMBL
CHEMBL584	NELFINAVIR	4.0	1	9.55
CHEMBL223824	MOZENAVIR	2.0	1	9.39
CHEMBL222559	TIPRANAVIR	4.0	1	-

Activity Data

Compound	Name	Type	Rel.	Value	Units	pChEMBL
CHEMBL584	NELFINAVIR	Ki	=	0.28	nM	9.55
CHEMBL223824	MOZENAVIR	Ki	=	0.41	nM	9.39
CHEMBL222559	TIPRANAVIR	Ki	=	0.008	nM	-