BDBM39445 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]thio]acetic acid ethyl ester::2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridyl]thio]acetic acid ethyl ester::MLS000036921::SMR000041248::cid_660388::ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-pyridin-2-yl]sulfanylethanoate::ethyl 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanylacetate

SMILES CCOC(=O)CSc1nc(ccc1C#N)-c1ccc2OCOc2c1

InChI Key InChIKey=VXZJGHPVKBQRGV-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 39445   

TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39445(SMR000041248 | MLS000036921 | cid_660388 | ethyl 2...)
Affinity DataIC50: 3.98E+4nMAssay Description:External Assay ID: MMP13_INH_deltaRFU_ 1536_IC50 Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affilia...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetSteroidogenic factor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39445(SMR000041248 | MLS000036921 | cid_660388 | ethyl 2...)
Affinity DataEC50: >3.67E+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 Depth
Date in BDB:
5/4/2011
Entry Details
PCBioAssay
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM39445(SMR000041248 | MLS000036921 | cid_660388 | ethyl 2...)
Affinity DataEC50:  5.65E+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 Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay