Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 333.4 BDBM50172814

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50172814 (8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-ynoic...) Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C19H27NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS UMR 6052 Curated by ChEMBL					Assay Description Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone				Bioorg Med Chem Lett 15: 4421-6 (2005) Article DOI: 10.1016/j.bmcl.2005.07.049 BindingDB Entry DOI: 10.7270/Q26Q1WS5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50172814 (8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-ynoic...) Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C19H27NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a
CNRS UMR 6052 Curated by ChEMBL					Assay Description In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation assay				Bioorg Med Chem Lett 15: 4421-6 (2005) Article DOI: 10.1016/j.bmcl.2005.07.049 BindingDB Entry DOI: 10.7270/Q26Q1WS5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50172814 (8-Hydroxy-8-(2-pentyloxy-pyridin-3-yl)-oct-5-ynoic...) Show SMILES CCCCCOc1ncccc1C(O)CC#CCCCC(=O)OC Show InChI InChI=1S/C19H27NO4/c1-3-4-9-15-24-19-16(11-10-14-20-19)17(21)12-7-5-6-8-13-18(22)23-2/h10-11,14,17,21H,3-4,6,8-9,12-13,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	549	n/a	n/a	n/a	n/a
CNRS UMR 6052 Curated by ChEMBL					Assay Description In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assay				Bioorg Med Chem Lett 15: 4421-6 (2005) Article DOI: 10.1016/j.bmcl.2005.07.049 BindingDB Entry DOI: 10.7270/Q26Q1WS5
					More data for this Ligand-Target Pair