Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50010391'   

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))	BDBM50010391 (CHEMBL3263967) Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4ccc(cc4)-c4ccsc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C34H35FN4O5S2/c1-38-14-16-39(17-15-38)13-3-18-43-34-22-30-28(21-33(34)42-2)31(10-12-36-30)44-32-9-6-26(20-29(32)35)37-46(40,41)27-7-4-24(5-8-27)25-11-19-45-23-25/h4-12,19-23,37H,3,13-18H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vichem Chemie Research Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant EGFR (unknown origin) using poly-GT peptide as substrate by Transcreener assay				ACS Med Chem Lett 5: 298-303 (2014) Article DOI: 10.1021/ml4003309 BindingDB Entry DOI: 10.7270/Q2HD7X6X
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