Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50214741'   

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/Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50214741 (CHEMBL65096) Show SMILES [O-][N+](=O)\C=C\c1ccc(OC(=O)CCCC(=O)NCc2ccccc2)cc1 Show InChI InChI=1S/C20H20N2O5/c23-19(21-15-17-5-2-1-3-6-17)7-4-8-20(24)27-18-11-9-16(10-12-18)13-14-22(25)26/h1-3,5-6,9-14H,4,7-8,15H2,(H,21,23)/b14-13+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of ligand-stimulated autophosphorylation of EGFR/HER2 chimeric receptor expressed in NIH3T3 cells				Bioorg Med Chem Lett 7: 2109-2114 (1997) Article DOI: 10.1016/S0960-894X(97)00369-7 BindingDB Entry DOI: 10.7270/Q2N016H3
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