BDBM50583055 CHEMBL5076237

SMILES COc1cc2CCN(CCc3ccc(cc3)-n3nnc(n3)-c3cc(OC)c(OC)cc3NC(=O)c3cc(=O)c4cc(Br)ccc4o3)Cc2cc1OC

InChI Key InChIKey=BMLQPDGIGJKFQV-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50583055   

TargetCytochrome P450 3A4(Human)
Athenex

Curated by ChEMBL
LigandPNGBDBM50583055(CHEMBL5076237)
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
LigandPNGBDBM50583055(CHEMBL5076237)
Affinity DataIC50: 91nMAssay 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