Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50010385'   

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))	BDBM50010385 (CHEMBL3263961) Show SMILES COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(c4)-c4cnn(C)c4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C33H34FN5O6S/c1-38-22-24(21-36-38)23-5-3-6-26(17-23)46(40,41)37-25-7-8-31(28(34)18-25)45-30-9-10-35-29-20-33(32(42-2)19-27(29)30)44-14-4-11-39-12-15-43-16-13-39/h3,5-10,17-22,37H,4,11-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+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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