Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50371361'   

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))	BDBM50371361 (CHEMBL430407) Show SMILES C[C@H](Oc1cccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c12)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H29N5O4/c1-18-15-21(8-10-24(18)37-22-9-7-19(2)29-16-22)32-27-26-23(30-17-31-27)5-4-6-25(26)36-20(3)28(34)33-11-13-35-14-12-33/h4-10,15-17,20H,11-14H2,1-3H3,(H,30,31,32)/t20-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of ebrB2 expressed in human MCF7 cells by autophosphorylation assay				Bioorg Med Chem Lett 18: 674-8 (2008) Article DOI: 10.1016/j.bmcl.2007.11.052 BindingDB Entry DOI: 10.7270/Q2736RSH
					More data for this Ligand-Target Pair