Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50292741'   

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))	BDBM50292741 (CHEMBL490687 | N-(4-(3-chloro-4-fluorophenylamino)...) Show SMILES CCc1cc2nccc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\C Show InChI InChI=1S/C21H19ClFN3O/c1-3-5-21(27)26-19-12-15-18(8-9-24-20(15)10-13(19)4-2)25-14-6-7-17(23)16(22)11-14/h3,5-12H,4H2,1-2H3,(H,24,25)(H,26,27)/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.50E+3	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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