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Assay Detail

CHEMBL4157386

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

Functional
Antiviral activity against HIV1 expressing gag delta V370 mutant infected in human MT2 cells after 4 to 5 days by dual luciferase reporter gene assay
29
Total Activities
29
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 29 7.52 8.12

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4163064 1 8.12
CHEMBL4176670 1 8.11
CHEMBL4170983 1 8.03
CHEMBL4167605 1 8.01
CHEMBL4172161 1 7.94
CHEMBL4163873 1 7.94
CHEMBL4171754 1 7.92
CHEMBL3827379 BMS-955176 2.0 1 7.89
CHEMBL4164969 1 7.88
CHEMBL3827026 1 7.84
CHEMBL4161554 1 7.75
CHEMBL4174855 1 7.72
CHEMBL4168390 1 7.71
CHEMBL4160495 1 7.57
CHEMBL4170377 1 7.43
CHEMBL4161218 1 7.43
CHEMBL4160947 1 7.37
CHEMBL4168071 1 7.32
CHEMBL4175001 1 7.22
CHEMBL4164785 1 7.20
CHEMBL4175595 1 7.19
CHEMBL4171418 1 7.18
CHEMBL4160156 1 7.17
CHEMBL4164349 1 7.03
CHEMBL4172680 1 6.99
CHEMBL4166969 1 6.91
CHEMBL4159740 1 6.14
CHEMBL3786166 1 -
CHEMBL4163247 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4163064 EC50 = 7.5 nM 8.12
CHEMBL4176670 EC50 = 7.7 nM 8.11
CHEMBL4170983 EC50 = 9.3 nM 8.03
CHEMBL4167605 EC50 = 9.7 nM 8.01
CHEMBL4172161 EC50 = 11.4 nM 7.94
CHEMBL4163873 EC50 = 11.6 nM 7.94
CHEMBL4171754 EC50 = 12.0 nM 7.92
CHEMBL3827379 BMS-955176 EC50 = 13.0 nM 7.89
CHEMBL4164969 EC50 = 13.3 nM 7.88
CHEMBL3827026 EC50 = 14.5 nM 7.84
CHEMBL4161554 EC50 = 18.0 nM 7.75
CHEMBL4174855 EC50 = 18.9 nM 7.72
CHEMBL4168390 EC50 = 19.6 nM 7.71
CHEMBL4160495 EC50 = 27.2 nM 7.57
CHEMBL4170377 EC50 = 37.3 nM 7.43
CHEMBL4161218 EC50 = 36.8 nM 7.43
CHEMBL4160947 EC50 = 42.8 nM 7.37
CHEMBL4168071 EC50 = 47.4 nM 7.32
CHEMBL4175001 EC50 = 60.5 nM 7.22
CHEMBL4164785 EC50 = 63.5 nM 7.20
CHEMBL4175595 EC50 = 64.2 nM 7.19
CHEMBL4171418 EC50 = 66.0 nM 7.18
CHEMBL4160156 EC50 = 67.5 nM 7.17
CHEMBL4164349 EC50 = 93.9 nM 7.03
CHEMBL4172680 EC50 = 101.4 nM 6.99
CHEMBL4166969 EC50 = 123.0 nM 6.91
CHEMBL4159740 EC50 = 727.0 nM 6.14
CHEMBL3786166 EC50 > 4000.0 nM -
CHEMBL4163247 EC50 > 10000.0 nM -