Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM131815'   

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))	BDBM131815 (US8835464, 17b | US9206162, 17b) Show SMILES CC(C)c1cc(-c2nn(C(=O)C(N)Cc3ccccc3)c(=O)n2-c2ccc3n(C)ccc3c2)c(OC(=O)C(N)Cc2ccccc2)cc1OC(=O)C(N)Cc1ccccc1 Show InChI InChI=1S/C47H47N7O6/c1-29(2)35-27-36(42(60-46(57)39(50)25-32-17-11-6-12-18-32)28-41(35)59-45(56)38(49)24-31-15-9-5-10-16-31)43-51-54(44(55)37(48)23-30-13-7-4-8-14-30)47(58)53(43)34-19-20-40-33(26-34)21-22-52(40)3/h4-22,26-29,37-39H,23-25,48-50H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46	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 US8835464 (2014) BindingDB Entry DOI: 10.7270/Q2J38R7W
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