Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50326610'   

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))	BDBM50326610 (2-Amino-4-(m-bromoanilino)-6-benzyl-7-methyl-pyrro...) Show SMILES Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc12 Show InChI InChI=1S/C20H18BrN5/c1-26-16(10-13-6-3-2-4-7-13)12-17-18(24-20(22)25-19(17)26)23-15-9-5-8-14(21)11-15/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by ChEMBL					Assay Description Inhibition of EGFR expressed in human A431 cells				Bioorg Med Chem 18: 5261-73 (2010) Article DOI: 10.1016/j.bmc.2010.05.049 BindingDB Entry DOI: 10.7270/Q29Z95W6
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