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Assay Detail

CHEMBL4404616

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

Functional
Antiviral activity against HIV1 NL4-3 infected in human MT2 cells measured after 3 to 4 days by luciferase reporter gene assay
35
Total Activities
34
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.
Li G, Meanwell NA, Krystal MR, Langley DR, Naidu BN, Sivaprakasam P, Lewis H, Kish K, Khan JA, Ng A, Trainor GL, Cianci C, Dicker IB, Walker MA, Lin Z, Protack T, Discotto L, Jenkins S, Gerritz SW, Pendri A.
J Med Chem (2020) 63 : 2620 -2637
PubMed 32081010 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 35 6.87 8.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL254316 RALTEGRAVIR 4.0 1 8.70
CHEMBL4465908 1 8.52
CHEMBL4560621 1 8.52
CHEMBL4468197 1 8.30
CHEMBL4471769 1 8.22
CHEMBL4515083 1 8.22
CHEMBL4449609 1 8.22
CHEMBL4561867 1 7.82
CHEMBL4513683 1 7.70
CHEMBL3259907 BI-224436 1.0 1 7.30
CHEMBL4547406 1 7.22
CHEMBL4450457 1 7.22
CHEMBL4457298 1 7.22
CHEMBL4454900 1 7.00
CHEMBL4454255 1 6.96
CHEMBL4448904 1 6.89
CHEMBL4573064 2 6.68
CHEMBL4476366 1 6.31
CHEMBL4460705 1 6.26
CHEMBL4461955 1 6.21
CHEMBL4565963 1 5.77
CHEMBL4538853 1 5.64
CHEMBL4469948 1 5.35
CHEMBL4439901 1 4.89
CHEMBL4560817 1 4.80
CHEMBL4592862 1 4.75
CHEMBL4541973 1 4.68
CHEMBL4440179 1 -
CHEMBL4592796 1 -
CHEMBL4551451 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL254316 RALTEGRAVIR EC50 = 2.0 nM 8.70
CHEMBL4465908 EC50 = 3.0 nM 8.52
CHEMBL4560621 EC50 = 3.0 nM 8.52
CHEMBL4468197 EC50 = 5.0 nM 8.30
CHEMBL4471769 EC50 = 6.0 nM 8.22
CHEMBL4515083 EC50 = 6.0 nM 8.22
CHEMBL4449609 EC50 = 6.0 nM 8.22
CHEMBL4561867 EC50 = 15.0 nM 7.82
CHEMBL4513683 EC50 = 20.0 nM 7.70
CHEMBL3259907 BI-224436 EC50 = 50.0 nM 7.30
CHEMBL4547406 EC50 = 60.0 nM 7.22
CHEMBL4450457 EC50 = 60.0 nM 7.22
CHEMBL4457298 EC50 = 60.0 nM 7.22
CHEMBL4454900 EC50 = 100.0 nM 7.00
CHEMBL4454255 EC50 = 110.0 nM 6.96
CHEMBL4448904 EC50 = 130.0 nM 6.89
CHEMBL4573064 EC50 = 210.0 nM 6.68
CHEMBL4476366 EC50 = 490.0 nM 6.31
CHEMBL4460705 EC50 = 550.0 nM 6.26
CHEMBL4461955 EC50 = 620.0 nM 6.21
CHEMBL4565963 EC50 = 1700.0 nM 5.77
CHEMBL4538853 EC50 = 2300.0 nM 5.64
CHEMBL4469948 EC50 = 4500.0 nM 5.35
CHEMBL4439901 EC50 = 13000.0 nM 4.89
CHEMBL4560817 EC50 = 16000.0 nM 4.80
CHEMBL4592862 EC50 = 18000.0 nM 4.75
CHEMBL4541973 EC50 = 21000.0 nM 4.68
CHEMBL4440179 EC50 > 40000.0 nM -
CHEMBL4573064 EC50 > 40000.0 nM -
CHEMBL4551451 EC50 > 40000.0 nM -
CHEMBL4592796 EC50 > 40000.0 nM -
CHEMBL4587557 EC50 > 40000.0 nM -
CHEMBL4532093 EC50 > 40000.0 nM -
CHEMBL4452801 EC50 > 40000.0 nM -
CHEMBL4475105 EC50 > 40000.0 nM -