BDBM54489 MLS001124660::SMR000659706::[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone::[5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-(4-pyridin-4-yl-1-piperidinyl)methanone::[5-[[2-(methylthio)phenoxy]methyl]isoxazol-3-yl]-[4-(4-pyridyl)piperidino]methanone::cid_24791976

SMILES CSc1ccccc1OCc1cc(no1)C(=O)N1CCC(CC1)c1ccncc1

InChI Key InChIKey=NRVKYOHWVRPFKV-UHFFFAOYSA-N

Data  6 IC50  1 EC50

  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 7 hits for monomerid = 54489   

TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54489([5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-(...)
Affinity DataEC50:  2.09E+3nMAssay 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 Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54489([5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-(...)
Affinity DataIC50: 3.18E+3nMAssay 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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54489([5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-(...)
Affinity DataIC50: 3.22E+3nMAssay 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 Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54489([5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-(...)
Affinity DataIC50: 3.97E+3nMAssay 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 Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54489([5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-(...)
Affinity DataIC50: 5.04E+3nMAssay 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 Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetCOUP transcription factor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54489([5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-(...)
Affinity DataIC50: 1.04E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2013
Entry Details
PCBioAssay
TargetTegument protein VP16(HHV-1)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54489([5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolyl]-(...)
Affinity DataIC50: 8.54E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/8/2014
Entry Details
PCBioAssay