Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50304639'   

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))	BDBM50304639 (9-(5'-Cyclopropylmethylaminocarbonyl-4'-thio-beta-...) Show SMILES O[C@H]1[C@@H](O)[C@@H](S[C@@H]1C(=O)NCC1CC1)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI InChI=1S/C21H23IN6O3S/c22-13-3-1-2-12(6-13)8-23-18-14-19(26-9-25-18)28(10-27-14)21-16(30)15(29)17(32-21)20(31)24-7-11-4-5-11/h1-3,6,9-11,15-17,21,29-30H,4-5,7-8H2,(H,24,31)(H,23,25,26)/t15-,16+,17-,21+/m0/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sahmyook University Curated by ChEMBL					Assay Description Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARgamma LBD by TR-FRET assay				J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH
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