Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50124389'   

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))	BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma)				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human peroxisome proliferator activated receptor gamma				J Med Chem 47: 4118-27 (2004) Article DOI: 10.1021/jm030631e BindingDB Entry DOI: 10.7270/Q2DR2TZ5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34)	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	20	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Effective concentration against human peroxisome proliferator activated receptor gamma in Gal4 transactivation assay				J Med Chem 47: 4118-27 (2004) Article DOI: 10.1021/jm030631e BindingDB Entry DOI: 10.7270/Q2DR2TZ5
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50124389 (2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...) Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1 Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonistic activity was determined in COS1 cells transfected with GAL 4-PPAR gamma receptor				Bioorg Med Chem Lett 13: 931-5 (2003) BindingDB Entry DOI: 10.7270/Q2HX1C1Z
					More data for this Ligand-Target Pair