Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50466687'   

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))	BDBM50466687 (CHEMBL4291468) Show SMILES COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
SPTanis PharmaChem Consulting LLC Curated by ChEMBL					Assay Description Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-...				Bioorg Med Chem 26: 5870-5884 (2018) Article DOI: 10.1016/j.bmc.2018.10.033 BindingDB Entry DOI: 10.7270/Q2XD14DJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50466687 (CHEMBL4291468) Show SMILES COc1cccc(c1)C(=O)COc1ccc(CC2SC(=O)NC2=O)cc1 Show InChI InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	961	n/a	n/a	n/a	n/a
SPTanis PharmaChem Consulting LLC Curated by ChEMBL					Assay Description Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expressed in UAS-bla HEL 293H cells preincubated for 16 hrs followed by FRET ...				Bioorg Med Chem 26: 5870-5884 (2018) Article DOI: 10.1016/j.bmc.2018.10.033 BindingDB Entry DOI: 10.7270/Q2XD14DJ
					More data for this Ligand-Target Pair				3D Structure (crystal)