Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50144597'   

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))	BDBM50144597 (CHEMBL3759830) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(Nc2ncnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)cc1 Show InChI InChI=1S/C31H36N6O4/c1-36-14-16-37(17-15-36)13-4-18-41-29-20-27-26(19-28(29)40-3)30(33-21-32-27)34-23-7-9-24(10-8-23)35-31(38)22-5-11-25(39-2)12-6-22/h5-12,19-21H,4,13-18H2,1-3H3,(H,35,38)(H,32,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human EGFR preincubated for 10 mins followed by addition of FAM-labeled peptide and incubated for 10 mins by Caliper motility shift ass...				Eur J Med Chem 109: 371-9 (2016) Article DOI: 10.1016/j.ejmech.2015.12.032 BindingDB Entry DOI: 10.7270/Q2M32XKS
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