Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50030854'   

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))	BDBM50030854 (CHEMBL3342727) Show SMILES CC(C)c1cc(-c2noc(NC(=O)C3CC3)c2-c2ccc(CN3CCc4ccccc4C3)cc2)c(O)cc1O Show InChI InChI=1S/C32H33N3O4/c1-19(2)25-15-26(28(37)16-27(25)36)30-29(32(39-34-30)33-31(38)23-11-12-23)22-9-7-20(8-10-22)17-35-14-13-21-5-3-4-6-24(21)18-35/h3-10,15-16,19,23,36-37H,11-14,17-18H2,1-2H3,(H,33,38)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assay				Eur J Med Chem 87: 765-81 (2014) Article DOI: 10.1016/j.ejmech.2014.09.065 BindingDB Entry DOI: 10.7270/Q2TX3GZV
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