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Assay Detail

CHEMBL3606514

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

Binding
Inhibition of HIV1 protease
ChEMBL ↗
13
Total Activities
13
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 Autocuration

Target

Protease (CHEMBL2366517) ↗
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.
Ghosh AK, Martyr CD, Osswald HL, Sheri VR, Kassekert LA, Chen S, Agniswamy J, Wang YF, Hayashi H, Aoki M, Weber IT, Mitsuya H.
J Med Chem (2015) 58 : 6994 -7006
PubMed 26306007 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 13 10.56 10.92

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3605642 — — 1 10.92
CHEMBL3605640 — — 1 10.85
CHEMBL3605636 — — 1 10.85
CHEMBL3605637 — — 1 10.85
CHEMBL1323 DARUNAVIR 4.0 1 10.80
CHEMBL3605641 — — 1 10.62
CHEMBL3605646 — — 1 10.57
CHEMBL3605645 — — 1 10.32
CHEMBL3605639 — — 1 9.28
CHEMBL3605643 — — 1 -
CHEMBL3605638 — — 1 -
CHEMBL3605644 — — 1 -
CHEMBL3605635 — — 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3605642 — Ki = 0.012 nM 10.92
CHEMBL3605640 — Ki = 0.014 nM 10.85
CHEMBL3605636 — Ki = 0.014 nM 10.85
CHEMBL3605637 — Ki = 0.014 nM 10.85
CHEMBL1323 DARUNAVIR Ki = 0.016 nM 10.80
CHEMBL3605641 — Ki = 0.024 nM 10.62
CHEMBL3605646 — Ki = 0.027 nM 10.57
CHEMBL3605645 — Ki = 0.048 nM 10.32
CHEMBL3605639 — Ki = 0.53 nM 9.28
CHEMBL3605643 — Ki = 0.0015 nM -
CHEMBL3605638 — Ki = 0.0039 nM -
CHEMBL3605644 — Ki = 0.0099 nM -
CHEMBL3605635 — Ki = 0.0063 nM -