Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50173351'   

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))	BDBM50173351 (1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3...) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3ccc[nH]3)ccc12 Show InChI InChI=1S/C30H25F3N2O4/c1-29(2,3)18-9-11-20(12-10-18)35-24-14-13-22(38-25-8-5-15-34-25)17-23(24)27(26(35)28(36)37)39-21-7-4-6-19(16-21)30(31,32)33/h4-17,34H,1-3H3,(H,36,37)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173351 (1-(4-tert-Butyl-phenyl)-5-(1H-pyrrol-2-yloxy)-3-(3...) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(C(O)=O)c(Oc2cccc(c2)C(F)(F)F)c2cc(Oc3ccc[nH]3)ccc12 Show InChI InChI=1S/C30H25F3N2O4/c1-29(2,3)18-9-11-20(12-10-18)35-24-14-13-22(38-25-8-5-15-34-25)17-23(24)27(26(35)28(36)37)39-21-7-4-6-19(16-21)30(31,32)33/h4-17,34H,1-3H3,(H,36,37)	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	126	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair