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Assay Detail

CHEMBL4223422

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 by luciferase reporter gene assay
32
Total Activities
32
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 32 8.51 9.47

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4226862 1 9.47
CHEMBL3828596 1 9.17
CHEMBL4225363 1 9.15
CHEMBL4225028 1 9.15
CHEMBL4226018 1 9.11
CHEMBL3827026 1 9.00
CHEMBL4228854 1 8.85
CHEMBL4225004 1 8.85
CHEMBL4224769 1 8.82
CHEMBL4225279 1 8.77
CHEMBL4224747 1 8.70
CHEMBL4225441 1 8.70
CHEMBL4228598 1 8.70
CHEMBL3827839 1 8.66
CHEMBL3787468 1 8.64
CHEMBL4227119 1 8.60
CHEMBL4226544 1 8.57
CHEMBL4225753 1 8.57
CHEMBL4225614 1 8.55
CHEMBL4228517 1 8.48
CHEMBL4226921 1 8.37
CHEMBL4227382 1 8.33
CHEMBL4225093 1 8.30
CHEMBL4226272 1 8.22
CHEMBL4226454 1 8.17
CHEMBL4229111 1 8.11
CHEMBL404519 BEVIRIMAT 2.0 1 8.00
CHEMBL4225865 1 7.85
CHEMBL4227326 1 7.80
CHEMBL3775172 1 7.80

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4226862 EC50 = 0.34 nM 9.47
CHEMBL3828596 EC50 = 0.68 nM 9.17
CHEMBL4225363 EC50 = 0.7 nM 9.15
CHEMBL4225028 EC50 = 0.7 nM 9.15
CHEMBL4226018 EC50 = 0.78 nM 9.11
CHEMBL3827026 EC50 = 1.0 nM 9.00
CHEMBL4228854 EC50 = 1.4 nM 8.85
CHEMBL4225004 EC50 = 1.4 nM 8.85
CHEMBL4224769 EC50 = 1.5 nM 8.82
CHEMBL4225279 EC50 = 1.7 nM 8.77
CHEMBL4224747 EC50 = 2.0 nM 8.70
CHEMBL4225441 EC50 = 2.0 nM 8.70
CHEMBL4228598 EC50 = 2.0 nM 8.70
CHEMBL3827839 EC50 = 2.2 nM 8.66
CHEMBL3787468 EC50 = 2.3 nM 8.64
CHEMBL4227119 EC50 = 2.5 nM 8.60
CHEMBL4226544 EC50 = 2.7 nM 8.57
CHEMBL4225753 EC50 = 2.7 nM 8.57
CHEMBL4225614 EC50 = 2.8 nM 8.55
CHEMBL4228517 EC50 = 3.3 nM 8.48
CHEMBL4226921 EC50 = 4.3 nM 8.37
CHEMBL4227382 EC50 = 4.7 nM 8.33
CHEMBL4225093 EC50 = 5.0 nM 8.30
CHEMBL4226272 EC50 = 6.0 nM 8.22
CHEMBL4226454 EC50 = 6.7 nM 8.17
CHEMBL4229111 EC50 = 7.7 nM 8.11
CHEMBL404519 BEVIRIMAT EC50 = 10.0 nM 8.00
CHEMBL4225865 EC50 = 14.0 nM 7.85
CHEMBL4227326 EC50 = 16.0 nM 7.80
CHEMBL3775172 EC50 = 16.0 nM 7.80
CHEMBL4228038 EC50 = 27.0 nM 7.57
CHEMBL4224822 EC50 = 51.0 nM 7.29