BDBM30722 MLS000068755::N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)-2-chlorobenzamide::N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-2-chloranyl-benzamide::N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-2-chloro-benzamide::N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-2-chlorobenzamide::SMR000039762::US9045483, 2::cid_658797

SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12

InChI Key InChIKey=ABIGPTDIQKRVCS-UHFFFAOYSA-N

Data  14 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 15 hits for monomerid = 30722   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataEC50:  1.88E+4nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSUMO-activating enzyme subunit 1/2(Homo sapiens (Human))
City Of Hope

US Patent
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  2.00E+4nMAssay 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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  6.15E+3nMAssay 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
TargetTransitional endoplasmic reticulum ATPase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50: >5.00E+4nMAssay Description:Source (MLPCN 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
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  890nMAssay 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
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  2.82E+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 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  1.99E+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
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  986nMAssay 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 8(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
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
TargetCaspase-3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  1.22E+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
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  1.37E+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
LigandPNGBDBM30722(MLS000068755 | 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 (SBIMR, 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
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  1.20E+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
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50:  4.76E+3nMAssay 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
TargetTransitional endoplasmic reticulum ATPase(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30722(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Affinity DataIC50: >5.00E+4nMAssay Description:Source (MLPCN 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