BDBM50497565 CHEMBL3344121

SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1

InChI Key InChIKey=HOUNMJYTCWEHQD-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 = 50497565   

TargetCytochrome P450 3A4(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50497565(CHEMBL3344121)
Affinity DataIC50: 3.80E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using AMMC by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50497565(CHEMBL3344121)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using AMMC by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed