Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50320831'   

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))	BDBM50320831 (CHEMBL1165468 | Ethyl 5-(7-(3-(diethylamino)propox...) Show SMILES CCOC(=O)c1cc2cc(Nc3ncnc4cc(OCCCN(CC)CC)c(OC)cc34)ccc2s1 Show InChI InChI=1S/C27H32N4O4S/c1-5-31(6-2)11-8-12-35-23-16-21-20(15-22(23)33-4)26(29-17-28-21)30-19-9-10-24-18(13-19)14-25(36-24)27(32)34-7-3/h9-10,13-17H,5-8,11-12H2,1-4H3,(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of HER2				Bioorg Med Chem 18: 3812-22 (2010) Article DOI: 10.1016/j.bmc.2010.04.046 BindingDB Entry DOI: 10.7270/Q2P26Z9D
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