Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50361687'   

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))	BDBM50361687 (CHEMBL1940930) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@@H](CC1)OC)-c1cc(C(C)C)c(O)cc1O |r,wD:13.13,16.20,(4.96,-31.55,;3.42,-31.55,;2.65,-30.21,;1.11,-30.21,;.45,-28.82,;.24,-31.48,;.76,-32.93,;-.46,-33.87,;-1.73,-32.99,;-1.3,-31.52,;-2.23,-30.3,;-3.77,-30.27,;-4.57,-31.58,;-4.51,-28.92,;-6.06,-28.89,;-6.79,-27.53,;-5.99,-26.21,;-4.45,-26.26,;-3.72,-27.6,;-6.73,-24.86,;-5.92,-23.55,;-3.06,-33.76,;-4.4,-33,;-5.73,-33.77,;-7.06,-33,;-7.06,-31.46,;-8.39,-33.77,;-5.73,-35.32,;-7.06,-36.08,;-4.39,-36.09,;-3.06,-35.31,;-1.72,-36.08,)| Show InChI InChI=1S/C23H31N3O6/c1-5-24-23(30)20-19(25-22(29)13-6-8-14(31-4)9-7-13)21(32-26-20)16-10-15(12(2)3)17(27)11-18(16)28/h10-14,27-28H,5-9H2,1-4H3,(H,24,30)(H,25,29)/t13-,14+	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	24	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
					More data for this Ligand-Target Pair