Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50206882'   

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))	BDBM50206882 (CHEMBL3936909) Show SMILES Oc1ccc(C(=O)Cc2ccc3OCCCOc3c2)c(O)c1O Show InChI InChI=1S/C17H16O6/c18-12-4-3-11(16(20)17(12)21)13(19)8-10-2-5-14-15(9-10)23-7-1-6-22-14/h2-5,9,18,20-21H,1,6-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.70E+5	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Binding affinity to 15N-labeled human HSP90alpha isoform 1 N-terminal ATP binding domain (9 to 236 residues) expressed in Escherichia coli BL21(DE3) ...				Bioorg Med Chem Lett 27: 277-281 (2017) Article DOI: 10.1016/j.bmcl.2016.11.059 BindingDB Entry DOI: 10.7270/Q2CR5WBR
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