Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50268905'   

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))	BDBM50268905 ((2S,3S,5RS)-5-(2-(5-aminopentylamino)-2-oxoethyl)-...) Show SMILES NCCCCCNC(=O)CC1CN[C@@H]([C@H](C1)C(=O)NO)C(=O)N1CCC(C1)c1ccccc1 |r| Show InChI InChI=1S/C24H37N5O4/c25-10-5-2-6-11-26-21(30)14-17-13-20(23(31)28-33)22(27-15-17)24(32)29-12-9-19(16-29)18-7-3-1-4-8-18/h1,3-4,7-8,17,19-20,22,27,33H,2,5-6,9-16,25H2,(H,26,30)(H,28,31)/t17?,19?,20-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER2 extracellular domain sheddase activity in human BT474 cells after 72 hrs by ELISA				Bioorg Med Chem Lett 19: 3525-30 (2009) Article DOI: 10.1016/j.bmcl.2009.04.143 BindingDB Entry DOI: 10.7270/Q2ST7PRT
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