Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50362972'   

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))	BDBM50362972 (CHEMBL1946571) Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O |r,wU:1.0,(3.41,-20.44,;3.38,-18.9,;2.03,-18.16,;.71,-18.95,;-.63,-18.21,;-1.94,-19.01,;-3.29,-18.26,;-3.31,-16.72,;-4.78,-16.25,;-6.12,-17.03,;-7.46,-16.26,;-7.45,-14.72,;-6.12,-13.94,;-4.79,-14.71,;-3.33,-14.22,;-2.56,-12.89,;-3.46,-11.64,;-2.55,-10.4,;-1.09,-10.89,;.25,-10.13,;.25,-8.59,;1.58,-10.9,;1.57,-12.45,;.23,-13.21,;-1.1,-12.43,;-2.41,-15.47,;-.87,-15.46,;-8.79,-17.03,;-10.12,-16.26,;-8.79,-18.57,;-10.13,-17.79,;-1.92,-20.54,;-.58,-21.29,;.74,-20.5,;2.09,-21.25,;4.7,-18.1,;6.05,-18.84,;4.67,-16.56,)| Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1	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	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human PPARgamma by scintillation proximity assay				J Med Chem 54: 8541-54 (2011) Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50362972 (CHEMBL1946571) Show SMILES C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4c(C)cccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O |r,wU:1.0,(3.41,-20.44,;3.38,-18.9,;2.03,-18.16,;.71,-18.95,;-.63,-18.21,;-1.94,-19.01,;-3.29,-18.26,;-3.31,-16.72,;-4.78,-16.25,;-6.12,-17.03,;-7.46,-16.26,;-7.45,-14.72,;-6.12,-13.94,;-4.79,-14.71,;-3.33,-14.22,;-2.56,-12.89,;-3.46,-11.64,;-2.55,-10.4,;-1.09,-10.89,;.25,-10.13,;.25,-8.59,;1.58,-10.9,;1.57,-12.45,;.23,-13.21,;-1.1,-12.43,;-2.41,-15.47,;-.87,-15.46,;-8.79,-17.03,;-10.12,-16.26,;-8.79,-18.57,;-10.13,-17.79,;-1.92,-20.54,;-.58,-21.29,;.74,-20.5,;2.09,-21.25,;4.7,-18.1,;6.05,-18.84,;4.67,-16.56,)| Show InChI InChI=1S/C26H19ClF3N3O5/c1-13-4-3-5-17-22(13)38-31-23(17)33-19-9-7-16(26(28,29)30)11-20(19)32(25(33)36)12-15-6-8-18(27)21(10-15)37-14(2)24(34)35/h3-11,14H,12H2,1-2H3,(H,34,35)/t14-/m1/s1	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	4.10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma expressed in COS-1 cells co-expressing with Gal4 by transactivation assay				J Med Chem 54: 8541-54 (2011) Article DOI: 10.1021/jm201061j BindingDB Entry DOI: 10.7270/Q2542P11
					More data for this Ligand-Target Pair