Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50427240'   

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))	BDBM50427240 (CHEMBL2325089) Show SMILES Fc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)c1ccccc1 |t:8| Show InChI InChI=1S/C25H19FN2/c26-20-15-13-19(14-16-20)24-17-25(28(27-24)21-9-2-1-3-10-21)23-12-6-8-18-7-4-5-11-22(18)23/h1-16,25H,17H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.59E+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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