Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50007737'   

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))	BDBM50007737 (CHEMBL3233487) Show SMILES CCNC(=O)c1noc2CCN(Cc12)C(=O)c1ccc(O)cc1O Show InChI InChI=1S/C16H17N3O5/c1-2-17-15(22)14-11-8-19(6-5-13(11)24-18-14)16(23)10-4-3-9(20)7-12(10)21/h3-4,7,20-21H,2,5-6,8H2,1H3,(H,17,22)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assay				Eur J Med Chem 76: 53-60 (2014) Article DOI: 10.1016/j.ejmech.2014.01.056 BindingDB Entry DOI: 10.7270/Q2V40WQX
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