Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50205259'   

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))	BDBM50205259 (CHEMBL3930762) Show SMILES Cc1ccc(Oc2ccc(Nc3ncnc4ccc(cc34)-c3cn(CCCCCC(=O)NO)nn3)cc2C)cn1 Show InChI InChI=1S/C29H30N8O3/c1-19-14-22(9-12-27(19)40-23-10-7-20(2)30-16-23)33-29-24-15-21(8-11-25(24)31-18-32-29)26-17-37(36-34-26)13-5-3-4-6-28(38)35-39/h7-12,14-18,39H,3-6,13H2,1-2H3,(H,35,38)(H,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Tsinghua University Curated by ChEMBL					Assay Description Inhibition of wild-type EGFR (unknown origin) assessed as remaining ATP level measured after 15 mins by luminescence analysis				Bioorg Med Chem 25: 27-37 (2017) Article DOI: 10.1016/j.bmc.2016.10.006 BindingDB Entry DOI: 10.7270/Q22N548X
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