Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50292732'   

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))	BDBM50292732 ((R)-N-((4-(3-chloro-4-fluorophenylamino)-7-methoxy...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CNC(=O)[C@H]1CCCCN1C |r| Show InChI InChI=1S/C23H25ClFN5O2/c1-30-8-4-3-5-20(30)23(31)26-12-14-9-16-19(11-21(14)32-2)27-13-28-22(16)29-15-6-7-18(25)17(24)10-15/h6-7,9-11,13,20H,3-5,8,12H2,1-2H3,(H,26,31)(H,27,28,29)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR				J Med Chem 52: 964-75 (2009) Article DOI: 10.1021/jm800829v BindingDB Entry DOI: 10.7270/Q27W6C7Q
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