Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50182894'   

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))	BDBM50182894 (CHEMBL204625 | N-(4-(3-fluorobenzyloxy)-3-chloroph...) Show SMILES Nc1ccccc1C#Cc1cncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 Show InChI InChI=1S/C25H18ClFN4O/c26-22-13-21(10-11-24(22)32-15-17-4-3-6-20(27)12-17)31-25-19(14-29-16-30-25)9-8-18-5-1-2-7-23(18)28/h1-7,10-14,16H,15,28H2,(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 16: 2419-22 (2006) Article DOI: 10.1016/j.bmcl.2006.01.111 BindingDB Entry DOI: 10.7270/Q2JW8DH8
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