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Assay Detail

CHEMBL4359416

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

Binding
Inhibition of HIV1 RT L100I mutant in presence of reconstituted template and viral nucleotides [digoxigenin (DIG)-dUTP, biotin-dUTP and dTTP] incubated for 1 hr by ELISA method
5
Total Activities
5
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

Human immunodeficiency virus type 1 reverse transcriptase (CHEMBL247)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus 1

Publication

Structure-Based Bioisosterism Yields HIV-1 NNRTIs with Improved Drug-Resistance Profiles and Favorable Pharmacokinetic Properties.
Kang D, Feng D, Sun Y, Fang Z, Wei F, De Clercq E, Pannecouque C, Liu X, Zhan P.
J Med Chem (2020) 63 : 4837 -4848
PubMed 32293182 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 5 7.24 7.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL308954 ETRAVIRINE 4.0 1 7.89
CHEMBL175691 RILPIVIRINE 4.0 1 7.62
CHEMBL3929927 1 7.04
CHEMBL4094163 1 7.00
CHEMBL4526732 1 6.64

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL308954 ETRAVIRINE IC50 = 13.0 nM 7.89
CHEMBL175691 RILPIVIRINE IC50 = 24.0 nM 7.62
CHEMBL3929927 IC50 = 92.0 nM 7.04
CHEMBL4094163 IC50 = 99.0 nM 7.00
CHEMBL4526732 IC50 = 228.0 nM 6.64