Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM102829'   

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
Tumor necrosis factor (Homo sapiens (Human))	BDBM102829 (US8541572, 906) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(NC(=O)NC3=O)C3CCC3)C(=O)c2c1 |r| Show InChI InChI=1S/C28H25N5O6/c1-39-20-10-7-17-14-33(22(34)21(17)13-20)15-27(23(35)29-25(37)31-27)12-11-16-5-8-19(9-6-16)28(18-3-2-4-18)24(36)30-26(38)32-28/h5-10,13,18H,2-4,14-15H2,1H3,(H2,29,31,35,37)(H2,30,32,36,38)/t27-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.170	n/a	382	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibition assay using TNF-alpha.				US Patent US8541572 (2013) BindingDB Entry DOI: 10.7270/Q2QC024J
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