Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50081361'   

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))	BDBM50081361 (4-(4-Amino-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl...) Show SMILES CCOC(=O)CCCn1cc(N)c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C17H22N2O5/c1-4-24-16(20)6-5-7-19-10-13(18)11-8-14(22-2)15(23-3)9-12(11)17(19)21/h8-10H,4-7,18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibitory activity against Tumor necrosis factor alpha from human PMBC cell line by ELISA test.				J Med Chem 42: 3860-73 (1999) BindingDB Entry DOI: 10.7270/Q2TH8NDH
					More data for this Ligand-Target Pair