Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50292507'   

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))	BDBM50292507 (3-(3-ethoxy-4-hydroxy-5-(phenylthiomethyl)benzylid...) Show SMILES CCOc1cc(\C=C2\CCNC2=O)cc(CSc2ccccc2)c1O Show InChI InChI=1S/C20H21NO3S/c1-2-24-18-12-14(10-15-8-9-21-20(15)23)11-16(19(18)22)13-25-17-6-4-3-5-7-17/h3-7,10-12,22H,2,8-9,13H2,1H3,(H,21,23)/b15-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of EGFR in human A431 cells				J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC
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