Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM50112364'   

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))	BDBM50112364 (CHEMBL3609410) Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2C#N)cc1 |(-3.74,3.7,;-2.67,3.08,;-2.67,1.54,;-3.73,.92,;-3.74,2.16,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;2.66,-3.08,;1.6,-3.7,;4,-3.86,;3.99,-5.4,;5.33,-6.17,;5.32,-7.71,;6.39,-8.33,;3.98,-8.48,;2.65,-7.7,;1.58,-8.32,;2.66,-6.16,;3.98,-10.02,;2.64,-10.78,;2.63,-12.32,;3.96,-13.1,;5.3,-12.34,;5.31,-10.8,;6.65,-10.03,;7.72,-9.42,;,-1.54,;-1.33,-.77,)| Show InChI InChI=1S/C23H18Cl2N2O3S/c1-2-31(29,30)18-9-7-15(8-10-18)11-22(28)27-17-12-20(24)23(21(25)13-17)19-6-4-3-5-16(19)14-26/h3-10,12-13H,2,11H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	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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