BDBM50081327 4-(6,7-Dimethoxy-4-oxo-4H-quinazolin-3-yl)-butyric acid ethyl ester::CHEMBL127259

SMILES: CCOC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O

InChI Key: InChIKey=PWWOIYBJOPSKKY-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081327   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081327 (4-(6,7-Dimethoxy-4-oxo-4H-quinazolin-3-yl)-butyric...) Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C16H20N2O5/c1-4-23-15(19)6-5-7-18-10-17-12-9-14(22-3)13(21-2)8-11(12)16(18)20/h8-10H,4-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	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