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SMILES COc1cc(cc(OC)c1CN(C)C)-c1cn(C)c(=O)c2cnccc12

InChI Key InChIKey=RBUYFHLQNPJMQM-UHFFFAOYSA-N

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183448   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL
LigandPNGBDBM50183448(CHEMBL3823478 | US11773085, Compound B2)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes in presence of NADPH using midazolam as substrate measured within 2.5 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27H1MJZPubMed