Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50052608'   

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))	BDBM50052608 (3-(3,4-Dimethoxy-phenyl)-3-(1,3-dioxo-1,3-dihydro-...) Show SMILES COC(=O)CC(N1C(=O)c2cc3ccccc3cc2C1=O)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C24H21NO6/c1-29-20-9-8-16(12-21(20)30-2)19(13-22(26)31-3)25-23(27)17-10-14-6-4-5-7-15(14)11-18(17)24(25)28/h4-12,19H,13H2,1-3H3	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	4.70E+3	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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