Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50013699'   

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))	BDBM50013699 (CHEMBL3264534) 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:10.10,4.7,1.0,wD:21.24,(60.47,-41.94,;59.14,-41.17,;57.8,-41.94,;56.47,-41.16,;56.48,-39.62,;57.81,-38.85,;59.14,-39.62,;55.15,-38.85,;53.82,-39.62,;55.16,-37.31,;53.82,-36.54,;52.48,-37.31,;51.14,-36.53,;49.81,-37.3,;49.81,-38.84,;48.47,-36.53,;48.48,-34.98,;47.14,-34.21,;49.8,-34.21,;51.14,-34.98,;52.48,-34.2,;53.83,-34.98,;55.16,-34.21,;56.49,-35,;57.83,-34.23,;57.83,-32.69,;59.17,-31.92,;56.49,-31.92,;56.49,-30.38,;55.16,-32.69,)| 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+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+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