Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50052615'   

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))	BDBM50052615 (3-(3,4-Dimethoxy-phenyl)-3-(5-nitro-1,3-dioxo-1,3-...) Show SMILES COC(=O)CC(N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C20H18N2O8/c1-28-16-7-4-11(8-17(16)29-2)15(10-18(23)30-3)21-19(24)13-6-5-12(22(26)27)9-14(13)20(21)25/h4-9,15H,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibitory activity of TNF-alpha was measured in the supernatant of human PBMCs stimulated with LPS.				J Med Chem 39: 3238-40 (1996) Article DOI: 10.1021/jm9603328 BindingDB Entry DOI: 10.7270/Q2V40T9Q
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