Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM102806'   

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))	BDBM102806 (US8541572, 2239) Show SMILES CCN1CCN(CC1)c1n[nH]c2cc(ccc12)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O |r| Show InChI InChI=1S/C28H29N7O4/c1-3-33-10-12-34(13-11-33)24-21-7-4-18(14-23(21)31-32-24)8-9-28(26(37)29-27(38)30-28)17-35-16-19-5-6-20(39-2)15-22(19)25(35)36/h4-7,14-15H,3,10-13,16-17H2,1-2H3,(H,31,32)(H2,29,30,37,38)/t28-/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	188	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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