Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50119074'   

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
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50119074 (CHEMBL95774 | N-[4-(3-Chloro-4-fluoro-phenylamino)...) Show SMILES Fc1ccc(Nc2c(cnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)C#N)cc1Cl Show InChI InChI=1S/C26H25ClFN5O3/c1-2-25(34)32-23-13-19-22(14-24(23)36-9-3-6-33-7-10-35-11-8-33)30-16-17(15-29)26(19)31-18-4-5-21(28)20(27)12-18/h2,4-5,12-14,16H,1,3,6-11H2,(H,30,31)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor receptor-2 autophosphorylation				Bioorg Med Chem Lett 12: 2893-7 (2002) BindingDB Entry DOI: 10.7270/Q23J3DHW
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