BDBM54313 1-azepanyl-[5-(6-quinolinyloxymethyl)-3-isoxazolyl]methanone::6-{[3-(azepan-1-ylcarbonyl)isoxazol-5-yl]methoxy}quinoline::MLS000733132::SMR000315163::azepan-1-yl-[5-(6-quinolyloxymethyl)isoxazol-3-yl]methanone::azepan-1-yl-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone::cid_16190805

SMILES O=C(N1CCCCCC1)c1cc(COc2ccc3ncccc3c2)on1

InChI Key InChIKey=HULSBULGPLDAJB-UHFFFAOYSA-N

Data  2 IC50  1 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 3 hits for monomerid = 54313   

TargetNucleotide-binding oligomerization domain-containing protein 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54313(1-azepanyl-[5-(6-quinolinyloxymethyl)-3-isoxazolyl...)
Affinity DataIC50:  1.32E+4nMAssay 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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54313(1-azepanyl-[5-(6-quinolinyloxymethyl)-3-isoxazolyl...)
Affinity DataIC50:  5.76E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54313(1-azepanyl-[5-(6-quinolinyloxymethyl)-3-isoxazolyl...)
Affinity DataEC50:  1.85E+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 DepthDetails PCBioAssay