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 = 'BDBM131830'   

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))	BDBM131830 (US8835464, 14d | US9206162, 14d) Show SMILES CC(C)c1cc(-c2nnc(S)n2-c2cccc(c2)S(N)(=O)=O)c(O)cc1O Show InChI InChI=1S/C17H18N4O4S2/c1-9(2)12-7-13(15(23)8-14(12)22)16-19-20-17(26)21(16)10-4-3-5-11(6-10)27(18,24)25/h3-9,22-23H,1-2H3,(H,20,26)(H2,18,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	336	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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