Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50191664'   

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))	BDBM50191664 (CHEMBL3958006) Show SMILES Fc1ccc(Nc2ncnc3cnc(NC(=O)\C=C\CN4CCOCC4)cc23)cc1Cl Show InChI InChI=1S/C21H20ClFN6O2/c22-16-10-14(3-4-17(16)23)27-21-15-11-19(24-12-18(15)25-13-26-21)28-20(30)2-1-5-29-6-8-31-9-7-29/h1-4,10-13H,5-9H2,(H,24,28,30)(H,25,26,27)/b2-1+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Irreversible inhibition of GST-tagged ERBB2 (unknown origin) (Ile-675 to Val-1256 residues) expressed in baculovirus infected Sf9 insect cells assess...				J Med Chem 59: 8103-24 (2016) Article DOI: 10.1021/acs.jmedchem.6b00883 BindingDB Entry DOI: 10.7270/Q2FF3VB3
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