BDBM50583062 CHEMBL5074563::US11739089, Compound 25

SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(Oc4ccncc4)ccc3NC(=O)c3cc(=O)c4ccccc4o3)Cc2cc1OC

InChI Key InChIKey=ZSZDLTGWRNLYQW-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50583062   

TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50583062(CHEMBL5074563 | US11739089, Compound 25)
Affinity DataIC50: 9.00E+3nMAssay 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
LigandPNGBDBM50583062(CHEMBL5074563 | US11739089, Compound 25)
Affinity DataIC50: 993nMAssay 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
LigandPNGBDBM50583062(CHEMBL5074563 | US11739089, Compound 25)
Affinity DataIC50: 1.00E+3nMAssay 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