Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50112586'   

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))	BDBM50112586 (CHEMBL3609399) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(c(C)c2)-c2ccccc2OC(F)(F)F)cc1 Show InChI InChI=1S/C24H22F3NO4S/c1-3-33(30,31)19-11-8-17(9-12-19)15-23(29)28-18-10-13-20(16(2)14-18)21-6-4-5-7-22(21)32-24(25,26)27/h4-14H,3,15H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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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