Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma' and Ligand = 'BDBM351750'   

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))	BDBM351750 (US9796710, Compound 43) Show SMILES CCO[C@H]1CC[C@H](CN2Cc3cc(cnc3[C@@H]2C(C)C)C(=O)N[C@@H](CO)c2ccc(cc2)S(=O)(=O)CC)CC1 |r,wU:3.2,23.24,wD:6.6,16.18,(-11.38,5.37,;-10.61,4.04,;-9.07,4.04,;-8.3,2.7,;-6.76,2.7,;-5.99,1.37,;-6.76,.04,;-5.99,-1.3,;-4.45,-1.3,;-3.55,-.05,;-2.08,-.53,;-.75,.24,;.58,-.53,;.58,-2.07,;-.75,-2.84,;-2.08,-2.07,;-3.55,-2.54,;-3.95,-4.03,;-5.43,-4.43,;-2.86,-5.12,;1.92,.24,;1.92,1.78,;3.25,-.53,;4.59,.24,;4.59,1.78,;5.92,2.55,;5.92,-.53,;7.25,.24,;8.59,-.53,;8.65,-2.15,;7.25,-2.84,;5.92,-2.07,;9.97,-2.93,;9.19,-4.26,;10.76,-1.61,;11.3,-3.72,;12.64,-2.97,;-8.3,.04,;-9.07,1.37,)| Show InChI InChI=1S/C30H43N3O5S/c1-5-38-25-11-7-21(8-12-25)17-33-18-24-15-23(16-31-28(24)29(33)20(3)4)30(35)32-27(19-34)22-9-13-26(14-10-22)39(36,37)6-2/h9-10,13-16,20-21,25,27,29,34H,5-8,11-12,17-19H2,1-4H3,(H,32,35)/t21-,25-,27-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description Compounds of the present invention were tested for ability to bind to ROR in a cell-free competition assay with commercially available radio-ligand (...				US Patent US9796710 (2017) BindingDB Entry DOI: 10.7270/Q2RN3B08
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