Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor [1-999,L858R]' and Ligand = 'BDBM391742'   

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 [1-999,L858R] (Homo sapiens (Human))	BDBM391742 (N-(3-((2-((2-methoxy-4-(1-(methylsulfonyl)piperidi...) Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)C1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C27H29F3N6O4S/c1-4-24(37)32-19-6-5-7-20(15-19)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-18(14-23(22)40-2)17-10-12-36(13-11-17)41(3,38)39/h4-9,14-17H,1,10-13H2,2-3H3,(H,32,37)(H2,31,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description Test compounds: a part of compounds of the invention, the chemical names and preparation methods of which can be found in their preparation examples....				Bioorg Med Chem Lett 19: 62-6 (2009) BindingDB Entry DOI: 10.7270/Q2P84F65
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