Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50271759'   

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))	BDBM50271759 (CHEMBL485321 | N4-(3-Bromophenyl)-6-[2-(4-methoxyp...) Show SMILES COc1ccc(CCc2cc3c(Nc4cccc(Br)c4)nc(N)nc3[nH]2)cc1 Show InChI InChI=1S/C21H20BrN5O/c1-28-17-9-6-13(7-10-17)5-8-16-12-18-19(26-21(23)27-20(18)25-16)24-15-4-2-3-14(22)11-15/h2-4,6-7,9-12H,5,8H2,1H3,(H4,23,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) expressed in human tumor cells				Bioorg Med Chem 16: 5514-28 (2008) Article DOI: 10.1016/j.bmc.2008.04.019 BindingDB Entry DOI: 10.7270/Q2GF0T9D
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