BDBM96570 2-oxo-3-[(2-phenylethyl)amino]-2,5,6,7-tetrahydro-1H-azepine-4-carbonitrile::7-keto-6-(phenethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile::7-oxidanylidene-6-(2-phenylethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile::7-oxo-6-(2-phenylethylamino)-1,2,3,4-tetrahydroazepine-5-carbonitrile::MLS000090103::SMR000024721::cid_3243145

SMILES O=C1NCCCC(C#N)C1=NCCc1ccccc1

InChI Key InChIKey=MTJNLFAYZIIFGM-UHFFFAOYSA-N

Data  2 IC50  2 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 4 hits for monomerid = 96570   

TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96570(SMR000024721 | MLS000090103 | 2-oxo-3-[(2-phenylet...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96570(SMR000024721 | MLS000090103 | 2-oxo-3-[(2-phenylet...)
Affinity DataIC50: 3.33E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96570(SMR000024721 | MLS000090103 | 2-oxo-3-[(2-phenylet...)
Affinity DataEC50:  595nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay
TargetGuanine nucleotide-binding protein subunit alpha-15(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96570(SMR000024721 | MLS000090103 | 2-oxo-3-[(2-phenylet...)
Affinity DataIC50: 2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay