Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50081322'   

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))	BDBM50081322 (4-(4-Acetyl-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-y...) Show SMILES CCOC(=O)CCCn1cc(C(C)=O)c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C19H23NO6/c1-5-26-18(22)7-6-8-20-11-15(12(2)21)13-9-16(24-3)17(25-4)10-14(13)19(20)23/h9-11H,5-8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+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