Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50307777'   

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))	BDBM50307777 (7-(4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino)-7...) Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCCCCC(=O)NO Show InChI InChI=1S/C29H30ClFN4O5/c1-38-26-16-24-22(15-27(26)39-12-5-3-2-4-9-28(36)35-37)29(33-18-32-24)34-21-10-11-25(23(30)14-21)40-17-19-7-6-8-20(31)13-19/h6-8,10-11,13-16,18,37H,2-5,9,12,17H2,1H3,(H,35,36)(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Curis Inc Curated by ChEMBL					Assay Description Inhibition of HER2				J Med Chem 53: 2000-9 (2010) Article DOI: 10.1021/jm901453q BindingDB Entry DOI: 10.7270/Q2CR5TGQ
					More data for this Ligand-Target Pair