Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50036702'   

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))	BDBM50036702 ((E)-3-[3-(2-Acetylamino-phenylsulfanylmethyl)-4-hy...) Show SMILES COc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccccc2NC(C)=O)c1O Show InChI InChI=1S/C20H19N3O4S/c1-12(24)23-16-5-3-4-6-18(16)28-11-15-8-13(7-14(10-21)20(22)26)9-17(27-2)19(15)25/h3-9,25H,11H2,1-2H3,(H2,22,26)(H,23,24)/b14-7+	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Sciences Center Curated by ChEMBL					Assay Description Inhibitory activity tested against protein kinase HER-2				J Med Chem 46: 4657-68 (2003) Article DOI: 10.1021/jm030065n BindingDB Entry DOI: 10.7270/Q2N58NKR
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