Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50327953'   

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))	BDBM50327953 (CHEMBL1256430 | N-(4-(4-amino-1-(1'-isopropyl-1,4'...) Show SMILES CC(C)N1CCC(CC1)N1CCC(CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C31H36ClN9O/c1-19(2)39-14-10-22(11-15-39)40-16-12-23(13-17-40)41-30-26(29(33)34-18-35-30)27(38-41)20-6-8-21(9-7-20)36-31-37-25-5-3-4-24(32)28(25)42-31/h3-9,18-19,22-23H,10-17H2,1-2H3,(H,36,37)(H2,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15.1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ErbB2				Bioorg Med Chem Lett 20: 6067-71 (2010) Article DOI: 10.1016/j.bmcl.2010.08.052 BindingDB Entry DOI: 10.7270/Q29S1R7Z
					More data for this Ligand-Target Pair