Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor' and Ligand = 'BDBM50292729'   

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))	BDBM50292729 ((7R,8R)-N-(3-iodophenyl)-7,8-bis(methoxymethyl)-7,...) Show SMILES COC[C@H]1Oc2cc3ncnc(Nc4cccc(I)c4)c3cc2O[C@@H]1COC |r| Show InChI InChI=1S/C20H20IN3O4/c1-25-9-18-19(10-26-2)28-17-8-15-14(7-16(17)27-18)20(23-11-22-15)24-13-5-3-4-12(21)6-13/h3-8,11,18-19H,9-10H2,1-2H3,(H,22,23,24)/t18-,19-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.66	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant EGFR				J Med Chem 52: 964-75 (2009) Article DOI: 10.1021/jm800829v BindingDB Entry DOI: 10.7270/Q27W6C7Q
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