Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50052616'   

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))	BDBM50052616 (3-(3,4-Dichloro-phenyl)-3-(1,3-dioxo-1,3-dihydro-i...) Show SMILES NC(=O)CC(N1C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H12Cl2N2O3/c18-12-6-5-9(7-13(12)19)14(8-15(20)22)21-16(23)10-3-1-2-4-11(10)17(21)24/h1-7,14H,8H2,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.00E+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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