BDBM42459 1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-ylidene)azepan-1-ium;iodide::1-(5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)azepan-1-ium;iodide::1-(5,5-dimethyl-3-pyrrolidino-cyclohex-2-en-1-ylidene)azepan-1-ium;iodide::1-[5,5-dimethyl-3-(1-pyrrolidinyl)-1-cyclohex-2-enylidene]azepan-1-ium;iodide::MLS001011154::SMR000353130::cid_16196225

SMILES [#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1

InChI Key InChIKey=SZWJOMFGHPFQSN-UHFFFAOYSA-N

Data  4 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 5 hits for monomerid = 42459   

TargetNeuropeptide Y receptor type 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42459(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Affinity DataIC50: >3.50E+4nMAssay Description:Source (MLSCN 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 DepthDetails PCBioAssay
TargetNeuropeptide Y receptor type 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM42459(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Affinity DataIC50: >3.50E+4nMAssay Description:Source (MLSCN 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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42459(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Affinity DataIC50:  8.01E+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
LigandPNGBDBM42459(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Affinity DataEC50:  4.99E+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 2(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM42459(1-(5,5-dimethyl-3-pyrrolidin-1-yl-cyclohex-2-en-1-...)
Affinity DataIC50:  1.64E+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