BDBM47749 3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-1-benzopyran-2-one::3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-ethoxy-chromen-2-one::3-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-ethoxychromen-2-one::3-{5-[(1,3-benzodioxol-5-ylmethyl)amino]-1,3,4-thiadiazol-2-yl}-8-ethoxy-2H-chromen-2-one::8-ethoxy-3-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]coumarin::MLS000583496::SMR000206682::cid_5103647

SMILES CCOc1cccc2cc(-c3nnc(NCc4ccc5OCOc5c4)s3)c(=O)oc12

InChI Key InChIKey=BEEPJTVTJWWKFC-UHFFFAOYSA-N

Data  1 IC50  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 47749   

LigandPNGBDBM47749(MLS000583496 | 3-{5-[(1,3-benzodioxol-5-ylmethyl)a...)
Affinity DataEC50: >3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
LigandPNGBDBM47749(MLS000583496 | 3-{5-[(1,3-benzodioxol-5-ylmethyl)a...)
Affinity DataEC50: >3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
LigandPNGBDBM47749(MLS000583496 | 3-{5-[(1,3-benzodioxol-5-ylmethyl)a...)
Affinity DataEC50: >3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
LigandPNGBDBM47749(MLS000583496 | 3-{5-[(1,3-benzodioxol-5-ylmethyl)a...)
Affinity DataEC50: >3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay
LigandPNGBDBM47749(MLS000583496 | 3-{5-[(1,3-benzodioxol-5-ylmethyl)a...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetNeutrophil cytosol factor 1 [S99G](Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM47749(MLS000583496 | 3-{5-[(1,3-benzodioxol-5-ylmethyl)a...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/7/2011
Entry Details
PCBioAssay