BDBM50592781 CHEMBL5203413

SMILES CC#CCOc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1

InChI Key InChIKey=VCZRCOBTYSEEQW-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50592781   

TargetAromatase(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50592781(CHEMBL5203413)
Affinity DataIC50: 0.0900nMAssay 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
LigandPNGBDBM50592781(CHEMBL5203413)
Affinity DataIC50: 2.17E+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
LigandPNGBDBM50592781(CHEMBL5203413)
Affinity DataIC50: 2.88E+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
LigandPNGBDBM50592781(CHEMBL5203413)
Affinity DataIC50: 2.50E+4nMAssay 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 2D6(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50592781(CHEMBL5203413)
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
TargetCytochrome P450 3A4(Human)
Cardiff University

Curated by ChEMBL
LigandPNGBDBM50592781(CHEMBL5203413)
Affinity DataIC50: 2.50E+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