Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50052597'   

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))	BDBM50052597 (3-(3-Cyano-phenyl)-3-(1,3-dioxo-1,3-dihydro-isoind...) Show SMILES NC(=O)CC(N1C(=O)c2ccccc2C1=O)c1cccc(c1)C#N Show InChI InChI=1S/C18H13N3O3/c19-10-11-4-3-5-12(8-11)15(9-16(20)22)21-17(23)13-6-1-2-7-14(13)18(21)24/h1-8,15H,9H2,(H2,20,22)	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	8.90E+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
					More data for this Ligand-Target Pair