Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50236388'   

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))	BDBM50236388 ((R)-N-methyl-2-(4-(1-(thiazol-2-ylmethyl)-1H-indaz...) Show SMILES CNC(=O)[C@@H](C)Oc1cccc2ncnc(Nc3ccc4n(Cc5nccs5)ncc4c3)c12 Show InChI InChI=1S/C23H21N7O2S/c1-14(23(31)24-2)32-19-5-3-4-17-21(19)22(27-13-26-17)29-16-6-7-18-15(10-16)11-28-30(18)12-20-25-8-9-33-20/h3-11,13-14H,12H2,1-2H3,(H,24,31)(H,26,27,29)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of human erbB2 autophosphorylation in MCF7 cells				Bioorg Med Chem Lett 18: 1799-803 (2008) Article DOI: 10.1016/j.bmcl.2008.02.035 BindingDB Entry DOI: 10.7270/Q23T9H0F
					More data for this Ligand-Target Pair