BDBM34697 MLS000569396::N-(1-butan-2-yl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)benzamide::N-(1-butan-2-yl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide::N-(1-butan-2-yl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)benzamide::N-(3-cyano-1-sec-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide::SMR000154973::US9073941, 1004::cid_4101144

SMILES CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12

InChI Key InChIKey=IFWNFAINJCODLT-UHFFFAOYSA-N

Data  9 IC50  2 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 11 hits for monomerid = 34697   

TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataIC50: >5.00E+4nMpH: 7.4 T: 2°CAssay Description:The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataEC50:  4.60E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataEC50:  2.95E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSUMO-conjugating enzyme UBC9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataIC50:  3.51E+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
TargetSUMO-activating enzyme subunit 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataIC50:  8.40E+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
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataIC50: >5.00E+3nMpH: 7.0Assay Description:Mtb PDH (Lpd+DlaT+AceE) is provided by Dr. Bryk Ruslana. The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataIC50: >5.00E+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
TargetSentrin-specific protease 6(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataIC50:  984nMAssay 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-3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataIC50:  1.33E+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
TargetDihydrolipoyl dehydrogenase(Mycobacterium tuberculosis)
Academia Sinica

US Patent
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataIC50:  870nMpH: 7.0Assay Description:The assay was performed in a manner similar to that described in Bryk et al., Biochemistry (2010) 49:1616-1627 and modified for an online robotics sc...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetSentrin-specific protease 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM34697(MLS000569396 | N-(1-butan-2-yl-3-cyano-2-pyrrolo[3...)
Affinity DataIC50:  2.24E+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