BDBM96880 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-2-(o-toluoylamino)butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinecarboxamide::MLS003777912::SMR002440892::cid_53361914

SMILES CC(C)[C@H](NC(=O)c1ccccc1C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl

InChI Key InChIKey=NRSIZGKCNKDCDN-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 = 96880   

TargetTrace amine-associated receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96880((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-...)
Affinity DataEC50:  1.64E+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
LigandPNGBDBM96880((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-...)
Affinity DataIC50: 3.15E+3nMMore 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
LigandPNGBDBM96880((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-...)
Affinity DataIC50: 3.32E+3nMMore 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
LigandPNGBDBM96880((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-3-methyl-...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay