Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50052598'   

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))	BDBM50052598 (CHEMBL109264 | N-Benzyl-3-(3,4-dimethoxy-phenyl)-3...) Show SMILES COc1ccc(cc1OC)C(CC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C26H24N2O5/c1-32-22-13-12-18(14-23(22)33-2)21(15-24(29)27-16-17-8-4-3-5-9-17)28-25(30)19-10-6-7-11-20(19)26(28)31/h3-14,21H,15-16H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Corporation Curated by ChEMBL					Assay Description Inhibition of TNF-alpha production in LPS stimulated human PBMCs				J Med Chem 39: 3238-40 (1996) Article DOI: 10.1021/jm9603328 BindingDB Entry DOI: 10.7270/Q2V40T9Q
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