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 = 'BDBM131814'   

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))	BDBM131814 (US8835464, 16b | US9206162, 16b) Show SMILES CC(N)C(=O)Oc1cc(OC(=O)C(C)N)c(cc1C(C)C)-c1nn(C(=O)C(C)N)c(=O)n1-c1ccc2n(C)ccc2c1 Show InChI InChI=1S/C29H35N7O6/c1-14(2)20-12-21(24(42-28(39)17(5)32)13-23(20)41-27(38)16(4)31)25-33-36(26(37)15(3)30)29(40)35(25)19-7-8-22-18(11-19)9-10-34(22)6/h7-17H,30-32H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	56	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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