Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50013701'   

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))	BDBM50013701 (CHEMBL3264536) Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)[C@H]3CC[C@H](F)CC3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r,wU:11.10,wD:18.24,7.7,14.14,(11.85,-47.98,;13.19,-48.75,;13.19,-50.29,;14.52,-51.07,;14.52,-52.61,;15.85,-50.3,;17.19,-51.07,;18.54,-50.3,;19.87,-51.08,;19.86,-52.62,;18.53,-53.38,;21.2,-53.39,;22.52,-52.62,;23.85,-53.39,;23.85,-54.94,;25.18,-55.71,;22.51,-55.7,;21.18,-54.93,;18.54,-48.75,;17.19,-47.96,;15.85,-48.74,;14.52,-47.98,;19.87,-47.98,;21.2,-48.76,;22.54,-48,;22.54,-46.45,;23.88,-45.69,;21.2,-45.68,;21.2,-44.14,;19.87,-46.45,)| Show InChI InChI=1S/C22H23FO7/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/h3,6-9,11,13,20-21,24-27H,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	6.90E+4	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