BDBM54227 3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile::3-(6-bromanyl-3-ethyl-2-methyl-quinolin-4-yl)sulfanylpropanenitrile::3-(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile::3-[(6-bromo-3-ethyl-2-methyl-4-quinolinyl)thio]propanenitrile::3-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)thio]propionitrile::MLS000591837::SMR000218463::cid_1858684

SMILES CCc1c(C)nc2ccc(Br)cc2c1SCCC#N

InChI Key InChIKey=QBNDDWFCFOOBGM-UHFFFAOYSA-N

Data  2 IC50  1 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 = 54227   

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

Curated by PubChem BioAssay
LigandPNGBDBM54227(3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)...)
Affinity DataIC50:  1.74E+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
LigandPNGBDBM54227(3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)...)
Affinity DataIC50:  1.29E+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
LigandPNGBDBM54227(3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)...)
Affinity DataEC50:  3.05E+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