Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50361696'   

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))	BDBM50361696 (CHEMBL1940947) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@H](CO)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:13.13,16.17,(19.44,-14.36,;17.9,-14.35,;17.14,-13.01,;15.6,-13.01,;14.93,-11.62,;14.73,-14.28,;15.24,-15.73,;14.02,-16.67,;12.75,-15.79,;13.19,-14.32,;12.25,-13.1,;10.71,-13.07,;9.91,-14.39,;9.97,-11.72,;10.76,-10.41,;10.03,-9.06,;8.49,-9.02,;7.75,-7.66,;6.22,-7.63,;7.69,-10.33,;8.42,-11.69,;11.42,-16.57,;10.08,-15.8,;8.76,-16.57,;7.42,-15.8,;7.42,-14.26,;6.09,-16.58,;8.75,-18.12,;7.42,-18.89,;10.09,-18.89,;11.42,-18.12,;12.76,-18.89,)| Show InChI InChI=1S/C23H31N3O6/c1-4-24-23(31)20-19(25-22(30)14-7-5-13(11-27)6-8-14)21(32-26-20)16-9-15(12(2)3)17(28)10-18(16)29/h9-10,12-14,27-29H,4-8,11H2,1-3H3,(H,24,31)(H,25,30)/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	15	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