Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50268904'   

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))	BDBM50268904 (CHEMBL445717 | benzyl 5-(2-((3RS,5S,6S)-5-(hydroxy...) Show SMILES ONC(=O)[C@H]1CC(CC(=O)NCCCCCNC(=O)OCc2ccccc2)CN[C@@H]1C(=O)N1CCC(C1)c1ccccc1 |r| Show InChI InChI=1S/C32H43N5O6/c38-28(33-15-8-3-9-16-34-32(41)43-22-23-10-4-1-5-11-23)19-24-18-27(30(39)36-42)29(35-20-24)31(40)37-17-14-26(21-37)25-12-6-2-7-13-25/h1-2,4-7,10-13,24,26-27,29,35,42H,3,8-9,14-22H2,(H,33,38)(H,34,41)(H,36,39)/t24?,26?,27-,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	137	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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