Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM3654'   

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))	BDBM3654 (4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]py...) Show SMILES CN(C)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 Show InChI InChI=1S/C17H19BrN6/c1-24(2)7-6-19-16-9-15-14(10-20-16)17(22-11-21-15)23-13-5-3-4-12(18)8-13/h3-5,8-11H,6-7H2,1-2H3,(H,19,20)(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.4	25
University of Auckland					Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...				J Med Chem 40: 3915-25 (1997) Article DOI: 10.1021/jm970366v BindingDB Entry DOI: 10.7270/Q2NS0S2V
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