Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lipopolysaccharide-induced tumor necrosis factor-alpha factor' and Ligand = 'BDBM235367'   

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
Lipopolysaccharide-induced tumor necrosis factor-alpha factor (Homo sapiens (Human))	BDBM235367 (US10085990, Example 97 | US9393245, 97) Show SMILES CCNC(=O)N1CCC(CC1)n1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(Cl)c2)c1=O Show InChI InChI=1S/C26H26ClN5O4/c1-3-28-25(34)30-12-10-17(11-13-30)31-23-19-8-5-9-21(36-2)22(19)29-15-20(23)24(33)32(26(31)35)18-7-4-6-16(27)14-18/h4-9,14-15,17H,3,10-13H2,1-2H3,(H,28,34)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
vTv Therapeutics LLC US Patent					Assay Description Samples were tested for TNF as per the manufacturer's instructions (TNF ELISA; R&D Systems, Cat #DY210). The samples were serially diluted with P...				US Patent US10085990 (2018) BindingDB Entry DOI: 10.7270/Q2RV0QRM
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