Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50007729'   

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))	BDBM50007729 (CHEMBL3233488) Show SMILES CCNC(=O)c1noc2CCN(Cc12)C(=O)c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C19H23N3O5/c1-4-20-18(25)17-13-9-22(6-5-16(13)27-21-17)19(26)12-7-11(10(2)3)14(23)8-15(12)24/h7-8,10,23-24H,4-6,9H2,1-3H3,(H,20,25)	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	29	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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