Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50453993'   

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))	BDBM50453993 (CHEMBL4206607) Show SMILES O=S(=O)(N1CCC(CC1)(C#N)c1ccccc1)c1cnc2ccc(nn12)-c1cccnc1 Show InChI InChI=1S/C23H20N6O2S/c24-17-23(19-6-2-1-3-7-19)10-13-28(14-11-23)32(30,31)22-16-26-21-9-8-20(27-29(21)22)18-5-4-12-25-15-18/h1-9,12,15-16H,10-11,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
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