Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50311465'   

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))	BDBM50311465 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...) Show SMILES Cc1c([nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C27H28ClFN6O3/c1-17-24-22(33-25(17)27(36)30-7-8-35-9-11-37-12-10-35)15-31-34-26(24)32-20-5-6-23(21(28)14-20)38-16-18-3-2-4-19(29)13-18/h2-6,13-15,33H,7-12,16H2,1H3,(H,30,36)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50311465 (4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-3-me...) Show SMILES Cc1c([nH]c2cnnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C27H28ClFN6O3/c1-17-24-22(33-25(17)27(36)30-7-8-35-9-11-37-12-10-35)15-31-34-26(24)32-20-5-6-23(21(28)14-20)38-16-18-3-2-4-19(29)13-18/h2-6,13-15,33H,7-12,16H2,1H3,(H,30,36)(H,32,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of HER2 in human SKBR3 cells by HTRF assay				Bioorg Med Chem Lett 19: 6437-40 (2009) Article DOI: 10.1016/j.bmcl.2009.09.038 BindingDB Entry DOI: 10.7270/Q25B02K2
					More data for this Ligand-Target Pair