BDBM50267074 CHEMBL446898::N-3-benzyl-phenobarbital::Phenobarbital

SMILES CCC1(C(=O)NC(=O)N(Cc2ccccc2)C1=O)c1ccccc1

InChI Key InChIKey=DZVQJRKACDFACI-UHFFFAOYSA-N

Data  1 KI  1 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 2 hits for monomerid = 50267074   

TargetCytochrome P450 2C19(Homo sapiens (Human))
Jilin University

Curated by ChEMBL
LigandPNGBDBM50267074(CHEMBL446898 | N-3-benzyl-phenobarbital | Phenobar...)
Affinity DataKi:  7.90E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Jilin University

Curated by ChEMBL
LigandPNGBDBM50267074(CHEMBL446898 | N-3-benzyl-phenobarbital | Phenobar...)
Affinity DataIC50:  8.70E+3nMpH: 7.4Assay Description:Specific aspects of the incubation conditions for each assay (e.g., protein concentration, incubation time, etc.) are defined in Walsky & Obach, 2004...More data for this Ligand-Target Pair
In DepthDetails US Patent