Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50315898'   

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))	BDBM50315898 (CHEMBL1090361 | N-(3-(5-(2-(2-methyl-1,2,3,4-tetra...) Show SMILES CN1CCc2cc(Nc3nccc(n3)-c3c(nc4sccn34)-c3cccc(NC(=O)Cc4ccccc4)c3)ccc2C1 Show InChI InChI=1S/C33H29N7OS/c1-39-15-13-23-19-27(11-10-25(23)21-39)36-32-34-14-12-28(37-32)31-30(38-33-40(31)16-17-42-33)24-8-5-9-26(20-24)35-29(41)18-22-6-3-2-4-7-22/h2-12,14,16-17,19-20H,13,15,18,21H2,1H3,(H,35,41)(H,34,36,37)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ErbB2 by time resolved fluorescence assay				Bioorg Med Chem Lett 20: 2452-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT
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