BDBM44439 2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-ylsulfonyl-ethanenitrile::2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile::2-(3-pyrrolidinoquinoxalin-2-yl)-2-(2-thienylsulfonyl)acetonitrile::2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]-2-thiophen-2-ylsulfonylacetonitrile::MLS000042133::SMR000048426::cid_667182

SMILES O=S(=O)(C(C#N)c1nc2ccccc2nc1N1CCCC1)c1cccs1

InChI Key InChIKey=LDZFLUKAAFJUEB-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 44439   

TargetEphrin type-A receptor 4(Mus musculus)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44439(2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...)
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
TargetEphrin type-A receptor 4(Mus musculus)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM44439(2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-3(Homo sapiens (Human))
Nankai University

Curated by ChEMBL
LigandPNGBDBM44439(2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...)
Affinity DataIC50:  533nMAssay Description:Inhibition of recombinant human caspase-3 using Ac-LDEVD-AMC as substrate assessed as accumulation of 7-AMC incubated for 10 mins followed by substra...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhosphomannomutase 2(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44439(2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human purified PMM2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Sanford-Burnham Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM44439(2-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-...)
Affinity DataIC50:  6.40E+3nMAssay Description:Inhibition of human purified phosphomannose isomeraseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed