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Assay Detail

CHEMBL5098546

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Binding
Binding affinity to DENV2 NS2B/NS3 protease assessed as inhibition constant
12
Total Activities
12
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism dengue virus type 2
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Genome polyprotein (CHEMBL5980)
Type SINGLE PROTEIN
Organism dengue virus type 2

Publication

A short survey of dengue protease inhibitor development in the past 6 years (2015-2020) with an emphasis on similarities between DENV and SARS-CoV-2 proteases.
Murtuja S, Shilkar D, Sarkar B, Sinha BN, Jayaprakash V.
Bioorg Med Chem (2021) 49 : 116415 -116415
PubMed 34601454 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Ki 12 4.80 5.85

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5170076 1 5.85
CHEMBL3344303 1 5.70
CHEMBL5194503 1 5.28
CHEMBL4458555 1 4.92
CHEMBL5206550 1 4.82
CHEMBL2440339 1 4.81
CHEMBL5200710 1 4.77
CHEMBL308048 1 4.45
CHEMBL1487183 ALEXIDINE HYDROCHLORIDE 1 4.39
CHEMBL403278 1 4.36
CHEMBL1908325 SELAMECTIN 2.0 1 4.20
CHEMBL6067487 IVERMECTIN 4.0 1 4.10

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5170076 Ki = 1400.0 nM 5.85
CHEMBL3344303 Ki = 2000.0 nM 5.70
CHEMBL5194503 Ki = 5300.0 nM 5.28
CHEMBL4458555 Ki = 12140.0 nM 4.92
CHEMBL5206550 Ki = 15000.0 nM 4.82
CHEMBL2440339 Ki = 15600.0 nM 4.81
CHEMBL5200710 Ki = 17000.0 nM 4.77
CHEMBL308048 Ki = 35700.0 nM 4.45
CHEMBL1487183 ALEXIDINE HYDROCHLORIDE Ki = 41000.0 nM 4.39
CHEMBL403278 Ki = 44000.0 nM 4.36
CHEMBL1908325 SELAMECTIN Ki = 63000.0 nM 4.20
CHEMBL6067487 IVERMECTIN Ki = 79000.0 nM 4.10