Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50393034'   

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))	BDBM50393034 (CHEMBL2152704) Show SMILES Cc1ccc(O)cc1-n1c2ncnc(N)c2c2CCCCc2c1=O |(21.85,-7.48,;23.19,-8.25,;24.52,-7.48,;25.87,-8.25,;25.86,-9.8,;27.2,-10.57,;24.52,-10.56,;23.19,-9.78,;21.86,-10.55,;20.52,-9.78,;20.52,-8.25,;19.2,-7.49,;17.87,-8.26,;17.88,-9.78,;16.54,-10.55,;19.19,-10.54,;19.18,-12.07,;17.85,-12.85,;17.85,-14.39,;19.18,-15.15,;20.52,-14.39,;20.51,-12.85,;21.85,-12.09,;23.18,-12.87,)| Show InChI InChI=1S/C18H18N4O2/c1-10-6-7-11(23)8-14(10)22-17-15(16(19)20-9-21-17)12-4-2-3-5-13(12)18(22)24/h6-9,23H,2-5H2,1H3,(H2,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR catalytic domain in presence of 1 uM radiolabeled ATP				ACS Med Chem Lett 3: 834-838 (2012) Article DOI: 10.1021/ml3001984 BindingDB Entry DOI: 10.7270/Q28S4R0N
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