Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM92454'   

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))	BDBM92454 (SYR127063) Show SMILES [O-]CCOCn1ccc2ncnc(Nc3cnc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12 Show InChI InChI=1S/C21H16ClF3N5O3/c22-16-9-14(10-26-20(16)33-15-3-1-2-13(8-15)21(23,24)25)29-19-18-17(27-11-28-19)4-5-30(18)12-32-7-6-31/h1-5,8-11H,6-7,12H2,(H,27,28,29)/q-1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	n/a
Takeda					Assay Description The EGFR, HER2 and HER4 kinase assay were performed using radiolabeled [gamma-32P] ATP from GE Healthcare.				J Biol Chem 286: 18756-65 (2011) Article DOI: 10.1074/jbc.M110.206193 BindingDB Entry DOI: 10.7270/Q27W69TH
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