BDBM50172813 8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoic acid methyl ester::8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoic acid methyl ester (8a)::CHEMBL197684

SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC(=O)OC

InChI Key InChIKey=AYOJUROMFKIVAY-UHFFFAOYSA-N

Data  2 KI  2 EC50

  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 4 hits for monomerid = 50172813   

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL
LigandPNGBDBM50172813(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazoneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL
LigandPNGBDBM50172813(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.34kcal/molepH: 8.2 T: 2°CAssay Description:Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL
LigandPNGBDBM50172813(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)
Affinity DataEC50:  1.41E+3nMAssay Description:In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Cnrs Umr 6052

Curated by ChEMBL
LigandPNGBDBM50172813(8-Hydroxy-8-(2-pentyloxy-quinolin-3-yl)-oct-5-ynoi...)
Affinity DataEC50:  262nMAssay Description:In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed