Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50003510   

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))	BDBM50472052 (CHEMBL145958) Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc3ccccc23)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C36H31N3O5/c1-39(36-38-31-15-6-7-16-33(31)44-36)21-22-43-26-19-17-24(18-20-26)23-32(35(41)42)37-30-14-5-4-12-29(30)34(40)28-13-8-10-25-9-2-3-11-27(25)28/h2-20,32,37H,21-23H2,1H3,(H,41,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description The compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against Peroxisome prol...				J Med Chem 41: 5055-69 (1998) Article DOI: 10.1021/jm980414r BindingDB Entry DOI: 10.7270/Q2DB84MJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50472016 (CHEMBL147912) Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(=O)c2cccc(OCc3ccccc3)c2)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C39H35N3O6/c1-42(39-41-34-16-7-8-17-36(34)48-39)22-23-46-30-20-18-27(19-21-30)24-35(38(44)45)40-33-15-6-5-14-32(33)37(43)29-12-9-13-31(25-29)47-26-28-10-3-2-4-11-28/h2-21,25,35,40H,22-24,26H2,1H3,(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	741	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by ChEMBL					Assay Description The compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against Peroxisome prol...				J Med Chem 41: 5055-69 (1998) Article DOI: 10.1021/jm980414r BindingDB Entry DOI: 10.7270/Q2DB84MJ
					More data for this Ligand-Target Pair