Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50315899'   

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))	BDBM50315899 (CHEMBL1090363 | N-(3-(5-(2-(3-(2-(dimethylamino)et...) Show SMILES CN(C)CCc1cccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)Cc3ccccc3)c2)c1 Show InChI InChI=1S/C33H31N7OS/c1-39(2)17-15-24-10-6-12-26(20-24)36-32-34-16-14-28(37-32)31-30(38-33-40(31)18-19-42-33)25-11-7-13-27(22-25)35-29(41)21-23-8-4-3-5-9-23/h3-14,16,18-20,22H,15,17,21H2,1-2H3,(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	150	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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