BDBM42246 2-(1,3-benzothiazol-2-yl)-2-[1-(4-fluorophenyl)-2,6-dimethyl-4-pyridinylidene]acetonitrile::2-(1,3-benzothiazol-2-yl)-2-[1-(4-fluorophenyl)-2,6-dimethyl-4-pyridylidene]acetonitrile::2-(1,3-benzothiazol-2-yl)-2-[1-(4-fluorophenyl)-2,6-dimethyl-pyridin-4-ylidene]ethanenitrile::2-(1,3-benzothiazol-2-yl)-2-[1-(4-fluorophenyl)-2,6-dimethylpyridin-4-ylidene]acetonitrile::MLS000418577::SMR000264999::cid_2313246

SMILES [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-c1ccc(F)cc1)=[#6](/C#N)-c1nc2ccccc2s1

InChI Key InChIKey=MGWGQFHITNGHKK-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 42246   

TargetTropomyosin alpha-1 chain(Pig)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42246(cid_2313246 | MLS000418577 | 2-(1,3-benzothiazol-2...)
Affinity DataEC50: >7.94E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM42246(cid_2313246 | MLS000418577 | 2-(1,3-benzothiazol-2...)
Affinity DataIC50: 8.70E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM42246(cid_2313246 | MLS000418577 | 2-(1,3-benzothiazol-2...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM42246(cid_2313246 | MLS000418577 | 2-(1,3-benzothiazol-2...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay
TargetTyrosine-protein phosphatase YopH(Yersinia enterocolitica)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM42246(cid_2313246 | MLS000418577 | 2-(1,3-benzothiazol-2...)
Affinity DataIC50: 5.00E+4nMAssay Description:Yersinia pestis is the causal agent of the bubonic plague and, although modern antibiotics are extremely effective against the malady, the plague rem...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2011
Entry Details
PCBioAssay