Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50206883'   

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))	BDBM50206883 (CHEMBL3932805) Show SMILES CCOC(=O)c1ccc(o1)-c1c(C)[nH]nc1-c1cc(CC)c(O)cc1O Show InChI InChI=1S/C19H20N2O5/c1-4-11-8-12(14(23)9-13(11)22)18-17(10(3)20-21-18)15-6-7-16(26-15)19(24)25-5-2/h6-9,22-23H,4-5H2,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.00E+3	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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