BDBM30979 1-[3-(2-ketopyrrolidino)propyl]-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester::1-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester::MLS000114097::SMR000109985::cid_1515332::dimethyl 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate::dimethyl 1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate

SMILES COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C1c1ccccc1C(F)(F)F)C(=O)OC

InChI Key InChIKey=HOTSPUDKFGLKDK-UHFFFAOYSA-N

Data  1 IC50  4 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 5 hits for monomerid = 30979   

TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM30979(cid_1515332 | dimethyl 1-[3-(2-oxopyrrolidin-1-yl)...)
Affinity DataIC50: 3.34E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30979(cid_1515332 | dimethyl 1-[3-(2-oxopyrrolidin-1-yl)...)
Affinity DataEC50:  2.66E+4nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2009
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30979(cid_1515332 | dimethyl 1-[3-(2-oxopyrrolidin-1-yl)...)
Affinity DataEC50: >9.50E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30979(cid_1515332 | dimethyl 1-[3-(2-oxopyrrolidin-1-yl)...)
Affinity DataEC50: >9.50E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30979(cid_1515332 | dimethyl 1-[3-(2-oxopyrrolidin-1-yl)...)
Affinity DataEC50: >9.51E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/28/2011
Entry Details
PCBioAssay