Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50036704'   

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
Epidermal growth factor receptor/Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50036704 (4-[5-(2-Carbamoyl-2-cyano-vinyl)-2-hydroxy-3-metho...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSCCCC(O)=O)c1O Show InChI InChI=1S/C16H18N2O5S/c1-23-13-7-10(5-11(8-17)16(18)22)6-12(15(13)21)9-24-4-2-3-14(19)20/h5-7,21H,2-4,9H2,1H3,(H2,18,22)(H,19,20)/b11-5+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibitory concentration against ErbB2/neu (HER-2) by autophosphorylation				J Med Chem 36: 3556-64 (1994) BindingDB Entry DOI: 10.7270/Q2MP52B9
					More data for this Ligand-Target Pair