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Assay Detail

CHEMBL4157384

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

Functional
Antiviral activity against wild type HIV1 infected in human MT2 cells after 4 to 5 days in presence of 10% FBS and 40% human serum albumin by dual luciferase reporter gene assay
15
Total Activities
15
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Functional
Organism Human immunodeficiency virus 1
Confidence 1 — Organism
Curated By Intermediate

Target

Human immunodeficiency virus 1 (CHEMBL378)
Type ORGANISM
Organism Human immunodeficiency virus 1

Publication

Design, Synthesis, and SAR of C-3 Benzoic Acid, C-17 Triterpenoid Derivatives. Identification of the HIV-1 Maturation Inhibitor 4-((1 R,3a S,5a R,5b R,7a R,11a S,11b R,13a R,13b R)-3a-((2-(1,1-Dioxidothiomorpholino)ethyl)amino)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1 H-cyclopenta[ a]chrysen-9-yl)benzoic Acid (GSK3532795, BMS-955176).
Regueiro-Ren A, Swidorski JJ, Liu Z, Chen Y, Sin N, Sit SY, Chen J, Venables BL, Zhu J, Nowicka-Sans B, Protack T, Lin Z, Terry B, Samanta H, Zhang S, Li Z, Easter J, Beno BR, Arora V, Huang XS, Rahematpura S, Parker DD, Haskell R, Santone KS, Cockett MI, Krystal M, Meanwell NA, Jenkins S, Hanumegowda U, Dicker IB.
J Med Chem (2018) 61 : 7289 -7313
PubMed 30067361 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 15 7.58 8.24

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3827026 1 8.24
CHEMBL4171754 1 8.21
CHEMBL4164969 1 8.13
CHEMBL4176670 1 7.96
CHEMBL4167605 1 7.89
CHEMBL4168814 1 7.86
CHEMBL4163873 1 7.80
CHEMBL4161554 1 7.67
CHEMBL4170377 1 7.63
CHEMBL4172161 1 7.61
CHEMBL4160495 1 7.58
CHEMBL4171833 1 7.46
CHEMBL4163521 1 7.43
CHEMBL3786166 1 6.35
CHEMBL4163247 1 5.89

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3827026 EC50 = 5.7 nM 8.24
CHEMBL4171754 EC50 = 6.1 nM 8.21
CHEMBL4164969 EC50 = 7.4 nM 8.13
CHEMBL4176670 EC50 = 11.1 nM 7.96
CHEMBL4167605 EC50 = 12.8 nM 7.89
CHEMBL4168814 EC50 = 13.7 nM 7.86
CHEMBL4163873 EC50 = 15.9 nM 7.80
CHEMBL4161554 EC50 = 21.3 nM 7.67
CHEMBL4170377 EC50 = 23.6 nM 7.63
CHEMBL4172161 EC50 = 24.5 nM 7.61
CHEMBL4160495 EC50 = 26.1 nM 7.58
CHEMBL4171833 EC50 = 35.1 nM 7.46
CHEMBL4163521 EC50 = 37.5 nM 7.43
CHEMBL3786166 EC50 = 449.0 nM 6.35
CHEMBL4163247 EC50 = 1291.0 nM 5.89