Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50131512'   

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))	BDBM50131512 (5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...) Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma				Bioorg Med Chem Lett 13: 2795-8 (2003) BindingDB Entry DOI: 10.7270/Q25D8R7K
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50131512 (5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...) Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Universiti Sains Malaysia Curated by ChEMBL					Assay Description Displacement of radio-labeled full agonist from PPARgamma receptor				Eur J Med Chem 46: 2513-29 (2011) Article DOI: 10.1016/j.ejmech.2011.03.040 BindingDB Entry DOI: 10.7270/Q2K35V05
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50131512 (5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...) Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma				Bioorg Med Chem Lett 13: 2795-8 (2003) BindingDB Entry DOI: 10.7270/Q25D8R7K
					More data for this Ligand-Target Pair