Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50237602'   

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))	BDBM50237602 (CHEMBL4061283) Show SMILES CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r| Show InChI InChI=1S/C25H30BrN5O3/c1-6-15(2)21(31-24(33)34-25(3,4)5)23(32)30-18-10-11-20-19(13-18)22(28-14-27-20)29-17-9-7-8-16(26)12-17/h7-15,21H,6H2,1-5H3,(H,30,32)(H,31,33)(H,27,28,29)/t15-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Xuzhou Medical University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) measured after 40 mins by Kinase Glo luminescence assay				Eur J Med Chem 130: 393-405 (2017) Article DOI: 10.1016/j.ejmech.2017.02.061 BindingDB Entry DOI: 10.7270/Q21Z46PJ
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