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Assay Detail

CHEMBL4223423

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

Binding
Binding affinity to CA-SP1 P373S mutant in HIV-1 subtype B NL4-3 infected in human MT2 cells assessed as inhibition of viral maturation by measuring virus yields after 4 to 5 days in presence of 10% FBS/15 mg/ml HSA by luciferase reporter gene assay
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Human immunodeficiency virus 1
Confidence 8 — Homologous single protein target
Curated By Intermediate

Target

Gag-Pol polyprotein (CHEMBL3638360)
Type SINGLE PROTEIN
Organism Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)

Publication

The design, synthesis and structure-activity relationships associated with C28 amine-based betulinic acid derivatives as inhibitors of HIV-1 maturation.
Chen Y, Sit SY, Chen J, Swidorski JJ, Liu Z, Sin N, Venables BL, Parker DD, Nowicka-Sans B, Lin Z, Li Z, Terry BJ, Protack T, Rahematpura S, Hanumegowda U, Jenkins S, Krystal M, Dicker ID, Meanwell NA, Regueiro-Ren A.
Bioorg Med Chem Lett (2018) 28 : 1550 -1557
PubMed 29631960 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 16 7.76 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3828596 1 8.70
CHEMBL3827026 1 8.70
CHEMBL4227119 1 8.49
CHEMBL4226018 1 8.42
CHEMBL4225279 1 8.38
CHEMBL4227326 1 8.10
CHEMBL4225614 1 8.09
CHEMBL3827839 1 8.06
CHEMBL3787468 1 7.96
CHEMBL4225865 1 7.68
CHEMBL4229111 1 7.64
CHEMBL4225093 1 7.58
CHEMBL3775172 1 6.82
CHEMBL4228038 1 6.80
CHEMBL4224822 1 6.68
CHEMBL404519 BEVIRIMAT 2.0 1 6.01

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3828596 EC50 = 2.0 nM 8.70
CHEMBL3827026 EC50 = 2.0 nM 8.70
CHEMBL4227119 EC50 = 3.2 nM 8.49
CHEMBL4226018 EC50 = 3.8 nM 8.42
CHEMBL4225279 EC50 = 4.2 nM 8.38
CHEMBL4227326 EC50 = 8.0 nM 8.10
CHEMBL4225614 EC50 = 8.2 nM 8.09
CHEMBL3827839 EC50 = 8.7 nM 8.06
CHEMBL3787468 EC50 = 11.0 nM 7.96
CHEMBL4225865 EC50 = 21.0 nM 7.68
CHEMBL4229111 EC50 = 23.0 nM 7.64
CHEMBL4225093 EC50 = 26.0 nM 7.58
CHEMBL3775172 EC50 = 150.0 nM 6.82
CHEMBL4228038 EC50 = 160.0 nM 6.80
CHEMBL4224822 EC50 = 210.0 nM 6.68
CHEMBL404519 BEVIRIMAT EC50 = 970.0 nM 6.01