Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50013705'   

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))	BDBM50013705 (CHEMBL3264538) Show SMILES O[C@H]1CC[C@H](CC1)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r,wU:4.7,1.0,wD:21.24,10.10,(52.18,-55.64,;50.85,-54.87,;49.51,-55.64,;48.18,-54.86,;48.19,-53.33,;49.52,-52.56,;50.85,-53.32,;46.86,-52.55,;45.52,-53.32,;46.86,-51.01,;45.53,-50.24,;44.18,-51.01,;42.85,-50.23,;41.52,-51,;41.52,-52.54,;40.18,-50.23,;40.18,-48.69,;38.85,-47.92,;41.51,-47.92,;42.85,-48.68,;44.19,-47.9,;45.53,-48.68,;46.87,-47.92,;48.2,-48.7,;49.53,-47.93,;49.54,-46.39,;50.87,-45.62,;48.2,-45.62,;48.2,-44.08,;46.87,-46.39,)| Show InChI InChI=1S/C22H24O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h3,6-9,11,13,20-21,23-27H,1-2,4-5,10H2/t11-,13+,20-,21-/m1/s1	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	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Montclair State University Curated by ChEMBL					Assay Description Inhibition of HSP90 (unknown origin) by luciferase refolding assay				Bioorg Med Chem Lett 24: 2263-6 (2014) Article DOI: 10.1016/j.bmcl.2014.03.088 BindingDB Entry DOI: 10.7270/Q2RF5WK6
					More data for this Ligand-Target Pair