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Assay Detail

CHEMBL4675253

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ADMET
Inhibition of human CYP1B1 expressed in sacchrosomes using 7-ethoxyresorufin as substrate by fluorescence based assay
10
Total Activities
10
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Cytochrome P450 1B1 (CHEMBL4878)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Furanoflavones pongapin and lanceolatin B blocks the cell cycle and induce senescence in CYP1A1-overexpressing breast cancer cells.
Sharma R,Williams IS,Gatchie L,Sonawane VR,Chaudhuri B,Bharate SB
Bioorg Med Chem (2018) 26 : 6076 -6086
PubMed 30448188 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 10 5.90 7.40

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL283196 ALPHA-NAPHTHOFLAVONE 1 7.40
CHEMBL224157 LANCEOLATIN B 1 6.54
CHEMBL573847 OVALITENONE 1 6.22
CHEMBL577397 PONGAPIN 1 6.02
CHEMBL583961 PONGAGLABRONE 1 5.47
CHEMBL4763663 1 5.42
CHEMBL458131 PONGAMOL 1 5.41
CHEMBL208484 KARANJIN 1 5.39
CHEMBL4793151 1 5.21
CHEMBL4740121 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL283196 ALPHA-NAPHTHOFLAVONE IC50 = 40.0 nM 7.40
CHEMBL224157 LANCEOLATIN B IC50 = 290.0 nM 6.54
CHEMBL573847 OVALITENONE IC50 = 600.0 nM 6.22
CHEMBL577397 PONGAPIN IC50 = 950.0 nM 6.02
CHEMBL583961 PONGAGLABRONE IC50 = 3400.0 nM 5.47
CHEMBL4763663 IC50 = 3800.0 nM 5.42
CHEMBL458131 PONGAMOL IC50 = 3900.0 nM 5.41
CHEMBL208484 KARANJIN IC50 = 4100.0 nM 5.39
CHEMBL4793151 IC50 = 6200.0 nM 5.21
CHEMBL4740121 IC50 > 20000.0 nM -