BDBM29868 alkynyl ether, 10

SMILES Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C

InChI Key InChIKey=RMMWVBYHCKSFMW-UHFFFAOYSA-N

Data  3 KI  3 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 29868   

LigandPNGBDBM29868(alkynyl ether, 10)
Affinity DataKi:  4nM EC50:  54nMAssay Description:The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM29868(alkynyl ether, 10)
Affinity DataKi:  210nM ΔG°:  -9.01kcal/mole EC50:  6.10E+3nMpH: 7.1 T: 2°CAssay Description:The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2009
Entry Details Article
PubMed
LigandPNGBDBM29868(alkynyl ether, 10)
Affinity DataKi:  300nM EC50:  3.00E+3nMAssay Description:The human PPARalpha ligand binding was directly measured using a scintillation proximity assay. Plates were read on a Packard TopCount. IC50 values f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/1/2009
Entry Details Article
PubMed