Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50172018'   

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))	BDBM50172018 (4-Benzylamino-5-ethyl-pyrrolo[2,1-f][1,2,4]triazin...) Show SMILES CCOC(=O)c1cn2ncnc(NCc3ccccc3)c2c1CC Show InChI InChI=1S/C18H20N4O2/c1-3-14-15(18(23)24-4-2)11-22-16(14)17(20-12-21-22)19-10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory concentration against HER2 cytoplasmic sequence expressed in Sf9 cells				Bioorg Med Chem Lett 15: 4774-9 (2005) Article DOI: 10.1016/j.bmcl.2005.07.027 BindingDB Entry DOI: 10.7270/Q2XD1172
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