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Assay Detail

CHEMBL4701716

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

ADMET
Transactivation of human PXR transfected in human HepG2 cells co-transfected with CYP3A4-Luc plasmid incubated for overnight by luciferase reporter gene assay
5
Total Activities
5
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type ADMET
Organism Homo sapiens
Cell Type HepG2
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Nuclear receptor subfamily 1 group I member 2 (CHEMBL3401)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase.
Sivaprakasam P,Wang Z,Meanwell NA,Khan JA,Langley DR,Johnson SR,Li G,Pendri A,Connolly TP,Gao M,Camac DM,Klakouski C,Zvyaga T,Cianci C,McAuliffe B,Ding B,Discotto L,Krystal MR,Jenkins S,Peese KM,Narasimhulu Naidu B
Bioorg Med Chem Lett (2020) 30 : 127531 -127531
PubMed 32890685 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 5 5.62 6.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4753283 1 6.00
CHEMBL4454255 1 5.24
CHEMBL4743243 1 -
CHEMBL4789249 1 -
CHEMBL4762774 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4753283 EC50 = 1010.0 nM 6.00
CHEMBL4454255 EC50 = 5700.0 nM 5.24
CHEMBL4743243 EC50 > 50000.0 nM -
CHEMBL4789249 EC50 > 50000.0 nM -
CHEMBL4762774 EC50 > 50000.0 nM -