Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50323786'   

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 (Homo sapiens (Human))	BDBM50323786 (8-(6-Bromo-3,4-methylenedioxyphenylthio)-9-[{1-(3-...) Show SMILES Nc1ncnc2n(CCCc3cn(CCCO)nn3)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C20H21BrN8O3S/c21-13-7-14-15(32-11-31-14)8-16(13)33-20-25-17-18(22)23-10-24-19(17)29(20)5-1-3-12-9-28(27-26-12)4-2-6-30/h7-10,30H,1-6,11H2,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of biotin-labeled geldanamycin from N-terminal His-tagged human recombinant HSP90alpha expressed in Escherichia coli				Bioorg Med Chem 18: 5732-7 (2010) Article DOI: 10.1016/j.bmc.2010.05.075 BindingDB Entry DOI: 10.7270/Q2JQ117R
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