Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50097940'   

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))	BDBM50097940 (2-({3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]...) Show SMILES COc1cccc(c1)-c1cn(C2CC(CNCCO)C2)c2ncnc(N)c12 |(14.75,.72,;13.65,1.79,;12.17,1.37,;11.09,2.44,;9.6,2.05,;9.2,.58,;10.29,-.51,;11.76,-.12,;9.88,-1.99,;10.79,-3.23,;9.88,-4.49,;10.3,-5.98,;9.39,-7.22,;10.64,-8.14,;10.88,-9.67,;12.31,-10.23,;13.51,-9.27,;13.28,-7.75,;14.48,-6.79,;11.55,-6.89,;8.42,-4.01,;7.09,-4.78,;5.75,-4.01,;5.75,-2.47,;7.09,-1.7,;7.09,-.16,;8.42,-2.47,)| Show InChI InChI=1S/C20H25N5O2/c1-27-16-4-2-3-14(9-16)17-11-25(20-18(17)19(21)23-12-24-20)15-7-13(8-15)10-22-5-6-26/h2-4,9,11-13,15,22,26H,5-8,10H2,1H3,(H2,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
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