BDBM50081312 4-(5-Amino-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)-butyric acid ethyl ester::CHEMBL127148::CHEMBL555277

SMILES: CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N)c2c1=O

InChI Key: InChIKey=FMROUKPWTDHLDR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50081312   

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))	BDBM50081312 (4-(5-Amino-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)...) Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N)c2c1=O Show InChI InChI=1S/C16H21N3O5/c1-4-24-12(20)6-5-7-19-9-18-10-8-11(22-2)15(23-3)14(17)13(10)16(19)21/h8-9H,4-7,17H2,1-3H3	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	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
Tumor necrosis factor (Homo sapiens (Human))	BDBM50081312 (4-(5-Amino-6,7-dimethoxy-4-oxo-4H-quinazolin-3-yl)...) Show SMILES CCOC(=O)CCCn1cnc2cc(OC)c(OC)c(N)c2c1=O Show InChI InChI=1S/C16H21N3O5/c1-4-24-12(20)6-5-7-19-9-18-10-8-11(22-2)15(23-3)14(17)13(10)16(19)21/h8-9H,4-7,17H2,1-3H3	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	2.00E+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