Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50162160'   

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))	BDBM50162160 (1-(2,4-Difluoro-phenyl)-3-[4-(6,7-dimethoxy-quinol...) Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)cc3F)c2cc1OC Show InChI InChI=1S/C24H18F3N3O4/c1-32-22-11-15-19(12-23(22)33-2)28-8-7-20(15)34-21-6-4-14(10-17(21)27)29-24(31)30-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
Hadassah Hebrew University Hospital Curated by ChEMBL					Assay Description Inhibition of Her2 expressed in CSH12 cells by western blot analysis				Bioorg Med Chem 16: 4242-51 (2008) Article DOI: 10.1016/j.bmc.2008.02.081 BindingDB Entry DOI: 10.7270/Q2B85903
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