Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50361670'   

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-beta (Homo sapiens (Human))	BDBM50361670 (CHEMBL1940913) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(Br)cc1)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C19H15BrClN3O5/c1-2-22-19(28)16-15(23-18(27)9-3-5-10(20)6-4-9)17(29-24-16)11-7-12(21)14(26)8-13(11)25/h3-8,25-26H,2H2,1H3,(H,22,28)(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
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