Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50112370'   

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))	BDBM50112370 (CHEMBL3609404) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)c(c2)-c2cncnc2)cc1 Show InChI InChI=1S/C27H22F3N3O4S/c1-2-38(35,36)21-10-7-18(8-11-21)13-26(34)33-20-9-12-22(24(14-20)19-15-31-17-32-16-19)23-5-3-4-6-25(23)37-27(28,29)30/h3-12,14-17H,2,13H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	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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