BDBM1883 2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-yl-3-pyrrolo[3,2-b]quinoxalinecarboxamide::2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-ylpyrrolo[3,2-b]quinoxaline-3-carboxamide::2-amino-1-piperonyl-N-sec-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide::2-azanyl-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-yl-pyrrolo[3,2-b]quinoxaline-3-carboxamide::MLS000040138::SMR000042656::cid_662039

SMILES CCC(C)NC(=O)c1c(N)n(Cc2ccc3OCOc3c2)c2nc3ccccc3nc12

InChI Key InChIKey=RKKYWZLPQUTGJX-UHFFFAOYSA-N

Data  6 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 = 1883   

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

Curated by PubChem BioAssay
LigandPNGBDBM1883(2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-y...)
Affinity DataEC50:  3.54E+3nMpH: 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
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM1883(2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-y...)
Affinity DataEC50:  7.93E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Networ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM1883(2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-y...)
Affinity DataEC50: >3.80E+5nMAssay 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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM1883(2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-y...)
Affinity DataEC50:  5.70E+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
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM1883(2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-y...)
Affinity DataEC50:  5.17E+4nMAssay 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 DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM1883(2-amino-1-(1,3-benzodioxol-5-ylmethyl)-N-butan-2-y...)
Affinity DataEC50:  2.41E+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