BDBM96867 MLS003777887::N-[(1S)-2-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidino]-2-keto-1-(3-pyridylmethyl)ethyl]carbamic acid ethyl ester;2,2,2-trifluoroacetic acid::N-[(2S)-1-[(2S)-2-[[2-(2-chlorophenyl)ethylamino]-oxomethyl]-1-pyrrolidinyl]-1-oxo-3-(3-pyridinyl)propan-2-yl]carbamic acid ethyl ester;2,2,2-trifluoroacetic acid::SMR002440867::cid_53361883::ethyl N-[(2S)-1-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-3-pyridin-3-yl-propan-2-yl]carbamate;2,2,2-tris(fluoranyl)ethanoic acid::ethyl N-[(2S)-1-[(2S)-2-[2-(2-chlorophenyl)ethylcarbamoyl]pyrrolidin-1-yl]-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate;2,2,2-trifluoroacetic acid

SMILES CCOC(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl

InChI Key InChIKey=VOEXKHILAZCPAB-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 = 96867   

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

Curated by PubChem BioAssay
LigandPNGBDBM96867(SMR002440867 | MLS003777887 | cid_53361883 | N-[(2...)
Affinity DataEC50:  3.16E+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
LigandPNGBDBM96867(SMR002440867 | MLS003777887 | cid_53361883 | N-[(2...)
Affinity DataIC50: 8.93E+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
LigandPNGBDBM96867(SMR002440867 | MLS003777887 | cid_53361883 | N-[(2...)
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
LigandPNGBDBM96867(SMR002440867 | MLS003777887 | cid_53361883 | N-[(2...)
Affinity DataEC50: >2.99E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay