Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50432378'   

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))	BDBM50432378 (CHEMBL2348419) Show SMILES COC(=O)C1=Cc2c(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)ncnc2NCC1 |t:4| Show InChI InChI=1S/C23H18ClF3N4O3/c1-33-22(32)13-7-8-28-20-17(9-13)21(30-12-29-20)31-15-5-6-19(18(24)11-15)34-16-4-2-3-14(10-16)23(25,26)27/h2-6,9-12H,7-8H2,1H3,(H2,28,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal DYKDDDD-tagged HER2 cytoplasmic domain (676 to 1255) expressed in baculovirus expression system incubated for 5 mins p...				Bioorg Med Chem 21: 2250-61 (2013) Article DOI: 10.1016/j.bmc.2013.02.014 BindingDB Entry DOI: 10.7270/Q2TT4S9D
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