Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50386032'   

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))	BDBM50386032 (CHEMBL2042871) Show SMILES CCN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O Show InChI InChI=1S/C25H25N3O2/c1-3-28(16-18-9-5-4-6-10-18)25(30)21-14-20-22(26-27-23(20)15-24(21)29)13-19-11-7-8-17(2)12-19/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	3.00E+3	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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