BDBM50183449 CHEMBL3823101::US11773085, Compound B23

SMILES COc1cc(c(OC)cc1CN(C)C)-c1cn(C)c(=O)c2cnccc12

InChI Key InChIKey=BJFSUDWKXGMUKA-UHFFFAOYSA-N

Data  16 IC50  13 Kd

PDB links: 5 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50183449   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Boehringer Ingelheim Rcv

Curated by ChEMBL
LigandPNGBDBM50183449(CHEMBL3823101 | US11773085, Compound B23)
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 ArticlePubMed