Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50386022'   

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))	BDBM50386022 (CHEMBL2042861) Show SMILES CCOc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1 Show InChI InChI=1S/C25H25N3O3/c1-3-31-19-11-9-18(10-12-19)16-28(2)25(30)21-14-20-22(13-17-7-5-4-6-8-17)26-27-23(20)15-24(21)29/h4-12,14-15,29H,3,13,16H2,1-2H3,(H,26,27)	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	760	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting				Bioorg Med Chem Lett 22: 4396-403 (2012) Article DOI: 10.1016/j.bmcl.2012.04.121 BindingDB Entry DOI: 10.7270/Q2T154QC
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