BDBM54215 2-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]malonic acid dimethyl ester::2-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioic acid dimethyl ester::MLS000570540::SMR000186966::cid_1274511::dimethyl 2-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]propanedioate::dimethyl {3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}malonate

SMILES [#6]-[#8]-[#6](=O)-[#6](=[#6]\c1ccc(-[#8]-[#6]-c2ccc(cc2)-[#7+](-[#8-])=O)c(-[#8]-[#6])c1)\[#6](=O)-[#8]-[#6]

InChI Key InChIKey=OKPMLLDNPPMKRZ-UHFFFAOYSA-N

Data  2 IC50  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 54215   

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

Curated by PubChem BioAssay
LigandPNGBDBM54215(2-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]malo...)
Affinity DataIC50:  8.46E+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
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54215(2-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]malo...)
Affinity DataEC50:  5.98E+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
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54215(2-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]malo...)
Affinity DataIC50:  4.31E+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
LigandPNGBDBM54215(2-[3-methoxy-4-(4-nitrobenzyl)oxy-benzylidene]malo...)
Affinity DataEC50:  2.00E+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