Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50172802'   

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))	BDBM50172802 (CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	947	-32.0	n/a	n/a	n/a	n/a	n/a	8.2	4
Université de Rennes 1					Assay 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...				J Enzyme Inhib Med Chem 25: 653-72 (2010) Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50172802 (CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	947	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 gamma (Homo sapiens (Human))	BDBM50172802 (CHEMBL383607 | Sodium 8-hydroxy-8-(2-pentyloxy-qui...) Show SMILES CCCCCOc1nc2ccccc2cc1C(O)CC#CCCCC([O-])=O Show InChI InChI=1S/C22H27NO4/c1-2-3-10-15-27-22-18(16-17-11-8-9-12-19(17)23-22)20(24)13-6-4-5-7-14-21(25)26/h8-9,11-12,16,20,24H,2-3,5,7,10,13-15H2,1H3,(H,25,26)/p-1	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	617	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