BDBM30737 2-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-chlorobenzoate::2-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl 4-chloranylbenzoate::4-chlorobenzoic acid 2-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl ester::4-chlorobenzoic acid 2-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester::MLS000037324::SMR000040874::cid_659906

SMILES Nc1c(C#N)c2nc3ccccc3nc2n1CCOC(=O)c1ccc(Cl)cc1

InChI Key InChIKey=BTHBBLZEGFZFSM-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 30737   

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

Curated by PubChem BioAssay
LigandPNGBDBM30737(4-chlorobenzoic acid 2-(2-amino-3-cyano-1-pyrrolo[...)
Affinity DataEC50:  2.34E+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 Depth
Date in BDB:
8/14/2009
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM30737(4-chlorobenzoic acid 2-(2-amino-3-cyano-1-pyrrolo[...)
Affinity DataEC50:  2.69E+3nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM30737(4-chlorobenzoic acid 2-(2-amino-3-cyano-1-pyrrolo[...)
Affinity DataEC50:  1.80E+3nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetImportin subunit alpha-1(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM30737(4-chlorobenzoic acid 2-(2-amino-3-cyano-1-pyrrolo[...)
Affinity DataEC50:  3.73E+3nMAssay Description:Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay