Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50112590'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50112590 (CHEMBL3609397) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2ccccc2OC(F)(F)F)cc1 Show InChI InChI=1S/C23H20F3NO4S/c1-2-32(29,30)19-13-7-16(8-14-19)15-22(28)27-18-11-9-17(10-12-18)20-5-3-4-6-21(20)31-23(24,25)26/h3-14H,2,15H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of RORgammat (unknown origin) assessed as inhibition of agonist-induced response by FRET assay				ACS Med Chem Lett 6: 787-92 (2015) Article DOI: 10.1021/acsmedchemlett.5b00122 BindingDB Entry DOI: 10.7270/Q2XG9SWD
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