Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50301109'   

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))	BDBM50301109 ((5S,6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperazine...) Show SMILES ONC(=O)[C@H]1C[C@@H](CN[C@@H]1C(=O)N1CCN(CC1)c1ccccc1)OC(=O)N1CCCC1 |r| Show InChI InChI=1S/C22H31N5O5/c28-20(24-31)18-14-17(32-22(30)27-8-4-5-9-27)15-23-19(18)21(29)26-12-10-25(11-13-26)16-6-2-1-3-7-16/h1-3,6-7,17-19,23,31H,4-5,8-15H2,(H,24,28)/t17-,18-,19-/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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER-2				Bioorg Med Chem Lett 19: 5037-42 (2009) Article DOI: 10.1016/j.bmcl.2009.07.052 BindingDB Entry DOI: 10.7270/Q2154J0S
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