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Assay Detail

CHEMBL4621577

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

Binding
Inhibition of Dengue virus serotype 2 NS2B-NS3 protease expressed in Escherichia coli BL21 lambda (DE3) cells using Abz-Nle-Lys-Arg-Arg-Ser-3-(NO2)Tyr as substrate preincubated for 15 mins followed by substrate addition and measured for 15 mins by FRET assay
59
Total Activities
56
Compounds Tested
2
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 New Class of Dengue and West Nile Virus Protease Inhibitors with Submicromolar Activity in Reporter Gene DENV-2 Protease and Viral Replication Assays.
Kühl N, Graf D, Bock J, Behnam MAM, Leuthold MM, Klein CD.
J Med Chem (2020) 63 : 8179 -8197
PubMed 32605372 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 56 5.28 6.27
Ki 3 5.59 6.34

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4633312 2 6.34
CHEMBL3741422 1 6.17
CHEMBL4640021 1 5.89
CHEMBL4633204 1 5.75
CHEMBL4638299 1 5.70
CHEMBL4634176 1 5.66
CHEMBL4649657 1 5.64
CHEMBL4636584 1 5.60
CHEMBL4649859 1 5.54
CHEMBL4642885 1 5.51
CHEMBL4640386 2 5.42
CHEMBL4634331 1 5.40
CHEMBL4646812 1 5.36
CHEMBL4639241 1 5.33
CHEMBL4641383 1 5.32
CHEMBL4643221 1 5.31
CHEMBL4638743 1 5.24
CHEMBL4646053 1 5.23
CHEMBL4645091 1 5.18
CHEMBL4632524 1 5.17
CHEMBL4641816 1 5.13
CHEMBL4638781 1 5.05
CHEMBL4649655 2 5.01
CHEMBL4638581 1 4.89
CHEMBL4802111 1 4.85
CHEMBL4633636 1 4.72
CHEMBL3335490 1 4.64
CHEMBL4642710 1 4.62
CHEMBL4638202 1 4.52
CHEMBL4635643 1 4.40

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4633312 Ki = 460.0 nM 6.34
CHEMBL4633312 IC50 = 540.0 nM 6.27
CHEMBL3741422 IC50 = 680.0 nM 6.17
CHEMBL4640021 IC50 = 1300.0 nM 5.89
CHEMBL4633204 IC50 = 1800.0 nM 5.75
CHEMBL4638299 IC50 = 2000.0 nM 5.70
CHEMBL4634176 IC50 = 2200.0 nM 5.66
CHEMBL4649657 IC50 = 2300.0 nM 5.64
CHEMBL4636584 IC50 = 2500.0 nM 5.60
CHEMBL4649859 IC50 = 2900.0 nM 5.54
CHEMBL4642885 IC50 = 3100.0 nM 5.51
CHEMBL4640386 Ki = 3800.0 nM 5.42
CHEMBL4634331 IC50 = 4000.0 nM 5.40
CHEMBL4646812 IC50 = 4400.0 nM 5.36
CHEMBL4639241 IC50 = 4700.0 nM 5.33
CHEMBL4641383 IC50 = 4800.0 nM 5.32
CHEMBL4643221 IC50 = 4900.0 nM 5.31
CHEMBL4640386 IC50 = 4900.0 nM 5.31
CHEMBL4638743 IC50 = 5700.0 nM 5.24
CHEMBL4646053 IC50 = 5900.0 nM 5.23
CHEMBL4645091 IC50 = 6600.0 nM 5.18
CHEMBL4632524 IC50 = 6800.0 nM 5.17
CHEMBL4641816 IC50 = 7400.0 nM 5.13
CHEMBL4638781 IC50 = 9000.0 nM 5.05
CHEMBL4649655 Ki = 9800.0 nM 5.01
CHEMBL4649655 IC50 = 11000.0 nM 4.96
CHEMBL4638581 IC50 = 13000.0 nM 4.89
CHEMBL4802111 IC50 = 14000.0 nM 4.85
CHEMBL4633636 IC50 = 19000.0 nM 4.72
CHEMBL3335490 IC50 = 23000.0 nM 4.64
CHEMBL4642710 IC50 = 24000.0 nM 4.62
CHEMBL4638202 IC50 = 30000.0 nM 4.52
CHEMBL4635643 IC50 = 40000.0 nM 4.40
CHEMBL4636025 IC50 - -
CHEMBL4636972 IC50 - -
CHEMBL4646913 IC50 - -
CHEMBL4640682 IC50 - -
CHEMBL4640656 IC50 - -
CHEMBL4635612 IC50 - -
CHEMBL4634164 IC50 - -
CHEMBL4635939 IC50 - -
CHEMBL4640965 IC50 - -
CHEMBL4646482 IC50 - -
CHEMBL4645960 IC50 - -
CHEMBL4647630 IC50 - -
CHEMBL4634206 IC50 - -
CHEMBL4632939 IC50 - -
CHEMBL4649399 IC50 - -
CHEMBL4634622 IC50 - -
CHEMBL4640172 IC50 - -