Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50179503'   

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))	BDBM50179503 (CHEMBL3814812) Show SMILES Fc1cccc(COc2ccc(Nc3ncnc4ccc(NC(=S)NCCCN5CCOCC5)cc34)cc2Cl)c1 Show InChI InChI=1S/C29H30ClFN6O2S/c30-25-17-23(6-8-27(25)39-18-20-3-1-4-21(31)15-20)35-28-24-16-22(5-7-26(24)33-19-34-28)36-29(40)32-9-2-10-37-11-13-38-14-12-37/h1,3-8,15-17,19H,2,9-14,18H2,(H2,32,36,40)(H,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of His-tagged human recombinant Her2 (676 to 1255 residues) expressed in baculovirus by fluorescence based assay				Bioorg Med Chem 24: 3501-12 (2016) Article DOI: 10.1016/j.bmc.2016.05.063 BindingDB Entry DOI: 10.7270/Q28S4RVV
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