BDBM29888 alkynyl ether, 30

SMILES CCC#CCOc1cc(COc2ccccc2C(F)(F)F)ccc1Sc1ccc(OCC(O)=O)c2CCCCc12

InChI Key InChIKey=JHRKYWUIHPQPLT-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 29888   

LigandChemical structure of BindingDB Monomer ID 29888BDBM29888(alkynyl ether, 30)
Affinity DataKi:  120nMAssay 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
LigandChemical structure of BindingDB Monomer ID 29888BDBM29888(alkynyl ether, 30)
Affinity DataKi:  170nMAssay 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
LigandChemical structure of BindingDB Monomer ID 29888BDBM29888(alkynyl ether, 30)
Affinity DataKi:  930nM ΔG°:  -8.14kcal/molepH: 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