BDBM43017 2-(6-Chloro-benzo[1,3]dioxol-5-ylmethylsulfanyl)-4,6-dimethyl-nicotinonitrile::2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile::2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile::2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile::2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-dimethyl-nicotinonitrile::MLS000595407::SMR000149930::cid_841275

SMILES Cc1cc(C)c(C#N)c(SCc2cc3OCOc3cc2Cl)n1

InChI Key InChIKey=XWIRVUIKWOCNBQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 43017   

TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43017(2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfany...)
Affinity DataEC50: >7.94E+4nMAssay 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:
5/20/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43017(2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfany...)
Affinity DataEC50: >7.94E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center http://molscreen.florida.scripps.edu/ Center Affiliation: The ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43017(2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfany...)
Affinity DataEC50: >7.94E+4nMAssay 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:
5/28/2011
Entry Details
PCBioAssay