Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM102819'   

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))	BDBM102819 (US8541572, 2252) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(O)(O)C(F)(F)F)C(=O)c2c1 |r| Show InChI InChI=1S/C23H18F3N3O6/c1-35-16-7-4-14-11-29(18(30)17(14)10-16)12-21(19(31)27-20(32)28-21)9-8-13-2-5-15(6-3-13)22(33,34)23(24,25)26/h2-7,10,33-34H,11-12H2,1H3,(H2,27,28,31,32)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.160	n/a	258	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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