Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.4 BDBM5452

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5452 (6-alkoxy-4-anilinoquinazoline 10a | N-[4-(benzylox...) Show SMILES C=CCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Show InChI InChI=1S/C24H21N3O2/c1-2-14-28-21-12-13-23-22(15-21)24(26-17-25-23)27-19-8-10-20(11-9-19)29-16-18-6-4-3-5-7-18/h2-13,15,17H,1,14,16H2,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 13: 637-40 (2003) Article DOI: 10.1016/s0960-894x(02)01047-8 BindingDB Entry DOI: 10.7270/Q2D21VS2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM5452 (6-alkoxy-4-anilinoquinazoline 10a | N-[4-(benzylox...) Show SMILES C=CCOc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 Show InChI InChI=1S/C24H21N3O2/c1-2-14-28-21-12-13-23-22(15-21)24(26-17-25-23)27-19-8-10-20(11-9-19)29-16-18-6-4-3-5-7-18/h2-13,15,17H,1,14,16H2,(H,25,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	347	n/a	n/a	n/a	n/a	7.5	23
GlaxoSmithKline					Assay Description Enzymatic reactions were initiated by adding kinase to the reaction mixture containing ATP, [gamma-33P] ATP, peptide substrate and test inhibitor com...				Bioorg Med Chem Lett 13: 637-40 (2003) Article DOI: 10.1016/s0960-894x(02)01047-8 BindingDB Entry DOI: 10.7270/Q2D21VS2
					More data for this Ligand-Target Pair