BDBM50592780 CHEMBL5177269

SMILES CCC#CCOc1ccc2cc(oc2c1)C(c1ccc(F)cc1)n1cncn1

InChI Key InChIKey=UBJZHEYYTQHDEG-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50592780   

TargetAromatase(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50592780(CHEMBL5177269)
Affinity DataIC50: 0.510nMAssay Description:Inhibition of aromatase in human JEG-3 cells using Androst-4-ene-3,17-dione as substrate incubated for 1 hr and measured by BCA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50592780(CHEMBL5177269)
Affinity DataIC50: 5.21E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate and measured by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50592780(CHEMBL5177269)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate and measured by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50592780(CHEMBL5177269)
Affinity DataIC50: 9.20E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate and measured by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50592780(CHEMBL5177269)
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate and measured by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50592780(CHEMBL5177269)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using Dextromethorphan as substrate and measured by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed