BDBM54198 2-Butyl-1-hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile::2-butyl-1-keto-3-methyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile::2-butyl-3-methyl-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile::2-butyl-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile::MLS000551356::SMR000145281::cid_2133311

SMILES CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O

InChI Key InChIKey=QKRFNJZLDFJRQC-UHFFFAOYSA-N

Data  5 IC50  1 EC50

  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 6 hits for monomerid = 54198   

TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54198(2-Butyl-1-hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a...)
Affinity DataIC50:  1.08E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54198(2-Butyl-1-hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a...)
Affinity DataEC50:  4.10E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54198(2-Butyl-1-hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a...)
Affinity DataIC50:  1.15E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54198(2-Butyl-1-hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a...)
Affinity DataIC50:  7.79E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54198(2-Butyl-1-hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54198(2-Butyl-1-hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a...)
Affinity DataIC50:  1.31E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay