Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50107593'   

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))	BDBM50107593 (CHEMBL3600796) Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(C)nc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H30N4O5/c1-7-28-26(35)23-18(10-11-27(5,6)30-25(34)17-9-8-16(4)29-14-17)24(36-31-23)20-12-19(15(2)3)21(32)13-22(20)33/h8-9,12-15,32-33H,7H2,1-6H3,(H,28,35)(H,30,34)	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	143	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University of TCM Curated by ChEMBL					Assay Description Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 25: 3129-34 (2015) Article DOI: 10.1016/j.bmcl.2015.06.009 BindingDB Entry DOI: 10.7270/Q2959KB2
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