Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM131827'   

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/90-beta (Homo sapiens (Human))	BDBM131827 (US8835464, 11d | US9206162, 11d) Show SMILES CC(C)c1cc(-c2nnc(O)n2-c2ccc(C)c(c2)S(=O)(=O)N(C)C)c(O)cc1O Show InChI InChI=1S/C20H24N4O5S/c1-11(2)14-9-15(17(26)10-16(14)25)19-21-22-20(27)24(19)13-7-6-12(3)18(8-13)30(28,29)23(4)5/h6-11,25-26H,1-5H3,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Synta Pharmaceuticals Corp. US Patent					Assay Description Hsp90 protein is obtained from Stressgen (Cat#SPP-770). Assay buffer: 100 mM Tris-HCl, Ph7.4, 20 mM KCl, 6 mM MgCl2. Malachite green (0.0812% w/v) (M...				US Patent US9206162 (2015) BindingDB Entry DOI: 10.7270/Q2251H0J
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