BDBM96875 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]-2-pyrrolidinecarboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(2-thenoylamino)acetyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(thiophen-2-ylcarbonylamino)ethanoyl]pyrrolidine-2-carboxamide::(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]pyrrolidine-2-carboxamide::MLS003777898::SMR002440878::cid_53361898

SMILES Clc1ccccc1CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1cccs1)C1CCCCC1

InChI Key InChIKey=XHLNJWXAKMPVEX-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 = 96875   

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

Curated by PubChem BioAssay
LigandPNGBDBM96875(SMR002440878 | MLS003777898 | (2S)-N-[2-(2-chlorop...)
Affinity DataEC50:  6.15E+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
LigandPNGBDBM96875(SMR002440878 | MLS003777898 | (2S)-N-[2-(2-chlorop...)
Affinity DataIC50: 1.05E+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
LigandPNGBDBM96875(SMR002440878 | MLS003777898 | (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
LigandPNGBDBM96875(SMR002440878 | MLS003777898 | (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