Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50427241'   

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))	BDBM50427241 (CHEMBL2325088) Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1cccc2ccccc12 |c:3| Show InChI InChI=1S/C25H20N2/c1-3-11-20(12-4-1)24-18-25(27(26-24)21-14-5-2-6-15-21)23-17-9-13-19-10-7-8-16-22(19)23/h1-17,25H,18H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant HER-2 cytoplasmic domain (676 to 1245) autophosphorylation after 1 hr				Bioorg Med Chem 21: 1050-63 (2013) Article DOI: 10.1016/j.bmc.2013.01.013 BindingDB Entry DOI: 10.7270/Q27S7Q3D
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