Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50427247'   

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))	BDBM50427247 (CHEMBL2325108) Show SMILES NC(=S)N1N=C(CC1c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C20H15Cl2N3S/c21-16-9-8-13(10-17(16)22)18-11-19(25(24-18)20(23)26)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,19H,11H2,(H2,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
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