BDBM32062 MLS000054842::N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)benzamide::N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide::N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)benzamide::SMR000060333::US9045483, 3::US9073941, 1003::cid_1910302

SMILES CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12

InChI Key InChIKey=MLKSWZRNCAMRQC-UHFFFAOYSA-N

Data  24 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 24 hits for monomerid = 32062   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  2.71E+4nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
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
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  3.24E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-DTT assay has been developed to evaluate the effects of increased DTT concentration on the MKP-1 inhi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  3.24E+4nMAssay Description:The MKP-1 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-1...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  3.00E+4nMAssay Description:The MKP-1 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-1 inhibit...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50: >5.00E+4nMAssay Description:The in vitro MKP-3 Phosphatase dose response hit/probe assessment assay has been developed and run at the University of Pittsburgh Molecular Screenin...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT has been developed to assess actives that were identified in the Cdc25B HTS ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  1.47E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response reproducibility assay has been developed to re-confirm actives that were identified in the Cdc2...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50: >5.00E+4nMAssay Description:The MKP-3 dose response Active/Probe assessment-Catalase assay has been developed to evaluate the effects of adding 100 U/mL of Catalase on the MKP-3...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  1.84E+4nMAssay Description:The MKP-3 dose response assay Active/Probe Assessment Assay - Reproducibility testing has been developed to test the reproducibility of MKP-3 inhibit...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  1.55E+4nMAssay Description:The Cdc25B Phosphatase HTS dose response confirmation has been developed to confirm actives identified in the Cdc25B HTS AID 368, screened at the Uni...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  2.36E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in Catalase has been developed to assess actives that were identified in the Cdc25B HTS A...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in 25 mM DTT with Catalase has been developed to assess actives that were identified in t...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  2.30E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in Beta-Mercaptoethanol (BME) has been developed to assess actives that were identified i...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  2.42E+4nMAssay Description:The Cdc25B Phosphatase probe assessment dose response assay in Glutathione (GSH) has been developed to assess actives that were identified in the Cdc...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50: >5.00E+4nMAssay Description:The Cdc25B Phosphatase probe assessment MKP-1 dose response selectivity assay has been developed to test the phosphatase specificity of actives that ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetM-phase inducer phosphatase 2(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  3.15E+4nMAssay Description:The MKP-1 Dual Specificity Protein Tyrosine Phosphatase Probe Assessment Cdc25B Dose Response Selectivity Assay has been developed to evaluate the PT...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  1.00E+5nMAssay 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
TargetMethyl-CpG-binding domain protein 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  4.38E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  1.28E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
City Of Hope

US Patent
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  3.60E+3nMAssay Description:Through the Molecular Library Probe Production Center Network (MLPCN), at least 300,000 compounds were screened using a TR-FRET method, an ALPHASCREE...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDihydrolipoyl dehydrogenase(Mycobacterium tuberculosis)
Academia Sinica

US Patent
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  520nMpH: 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
TargetDual specificity protein phosphatase 1(Homo sapiens (Human))
University Of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM32062(MLS000054842 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  2.35E+4nMpH: 7.0 T: 2°CAssay Description:The MKP-1 HTS confirmation dose response assay has been developed to confirm actives identified in the MH-76391 In vitro HTS assay for MKP-1 inhibito...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay