BDBM50583068 CHEMBL5081940::US11739089, Compound 17

SMILES COc1cc(NC(=O)c2cnc3ccccc3c2)c(cc1OCc1ccccc1)-c1nnn(n1)-c1ccc(CCN2CCc3cnccc3C2)cc1

InChI Key InChIKey=CNPVASHDPUJKPV-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50583068   

TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50583068(CHEMBL5081940 | US11739089, Compound 17)
Affinity DataIC50: 851nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using IPA as substrate preincubated for 10 mins followed by NADPH generating system addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50583068(CHEMBL5081940 | US11739089, Compound 17)
Affinity DataIC50: 39nMAssay Description:Inhibition of wild type human P-gp in human MES-SA/Dx5 cells incubated for 3 days by MTT assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50583068(CHEMBL5081940 | US11739089, Compound 17)
Affinity DataIC50: 750nMAssay Description:Test compounds, DMSO (negative control), and ketoconazole (positive control) were diluted to 4× final concentrations in water. The standard final Com...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2023
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50583068(CHEMBL5081940 | US11739089, Compound 17)
Affinity DataIC50: 750nMAssay Description:Test compounds, DMSO (negative control), and ketoconazole (positive control) were diluted to 4× final concentrations in water. The standard final Com...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2023
Entry Details
Go to US Patent