BDBM96868 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopentanecarbonylamino)-3-(3-pyridyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopentanecarbonylamino)-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(cyclopentylcarbonylamino)-3-pyridin-3-yl-propanoyl]pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[cyclopentyl(oxo)methyl]amino]-1-oxo-3-(3-pyridinyl)propyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid::MLS003777888::SMR002440868::cid_53361885

SMILES Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccnc1)NC(=O)C1CCCC1

InChI Key InChIKey=GQHHMHXXDJBGFA-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 = 96868   

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

Curated by PubChem BioAssay
LigandPNGBDBM96868(cid_53361885 | SMR002440868 | (2S)-N-[2-(2-chlorop...)
Affinity DataEC50:  2.91E+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
LigandPNGBDBM96868(cid_53361885 | SMR002440868 | (2S)-N-[2-(2-chlorop...)
Affinity DataIC50: 3.72E+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
LigandPNGBDBM96868(cid_53361885 | SMR002440868 | (2S)-N-[2-(2-chlorop...)
Affinity DataIC50: 2.99E+4nMMore 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
LigandPNGBDBM96868(cid_53361885 | SMR002440868 | (2S)-N-[2-(2-chlorop...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay