Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50391644'   

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))	BDBM50391644 (CHEMBL2148049) Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)S(C)(=O)=O Show InChI InChI=1S/C26H25ClF3N5O4S/c1-25(2,40(3,37)38)24(36)31-10-12-35-11-9-20-22(35)23(33-15-32-20)34-17-7-8-21(19(27)14-17)39-18-6-4-5-16(13-18)26(28,29)30/h4-9,11,13-15H,10,12H2,1-3H3,(H,31,36)(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal DYKDDDD tagged HER2 cytoplasmic domain amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...				Bioorg Med Chem 20: 6171-80 (2012) Article DOI: 10.1016/j.bmc.2012.08.002 BindingDB Entry DOI: 10.7270/Q21R6RMZ
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