Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM50165313'   

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
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50165313 (8-(2,4-Dichloro-5-methoxy-phenylsulfanyl)-9-(2-iso...) Show SMILES COc1cc(Sc2nc3c(N)ncnc3n2CCOC(C)C)c(Cl)cc1Cl Show InChI InChI=1S/C17H19Cl2N5O2S/c1-9(2)26-5-4-24-16-14(15(20)21-8-22-16)23-17(24)27-13-7-12(25-3)10(18)6-11(13)19/h6-9H,4-5H2,1-3H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of Hsp90 protein as degradation of HER2 kinase in SKBr3 cells				J Med Chem 48: 2892-905 (2005) Article DOI: 10.1021/jm049012b BindingDB Entry DOI: 10.7270/Q2N29WF6
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