BDBM7884 1-methyl-1H-imidazole::US9138393, 1-Methylimidazole::US9144538, 1-Methylimidazole

SMILES Cn1ccnc1

InChI Key InChIKey=MCTWTZJPVLRJOU-UHFFFAOYSA-N

Data  2 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 7884   

TargetGlutaminyl-peptide cyclotransferase(Mus musculus (mouse))
Probiodrug

LigandPNGBDBM7884(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Affinity DataKi:  2.30E+4nM ΔG°:  -6.43kcal/molepH: 8.0 T: 2°CAssay Description:QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutaminyl-peptide cyclotransferase(Homo sapiens (Human))
Probiodrug

LigandPNGBDBM7884(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Affinity DataKi:  3.00E+4nM ΔG°:  -6.27kcal/molepH: 8.0 T: 2°CAssay Description:QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM7884(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Affinity DataIC50: >1.00E+4nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM7884(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Affinity DataIC50:  2.70E+6nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble

US Patent
LigandPNGBDBM7884(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Affinity DataIC50: >1.00E+4nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
In DepthDetails US Patent