Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50323782'   

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-alpha (Homo sapiens (Human))	BDBM50323782 (9,9'-(3,3'-(1,1'-(3,6,9,12,15,18-hexaoxaicosane-1,...) Show SMILES Nc1ncnc2n(CCCc3cn(CCOCCOCCOCCOCCOCCOCCn4cc(CCCn5c(Sc6cc7OCOc7cc6Br)nc6c(N)ncnc56)nn4)nn3)c(Sc3cc4OCOc4cc3Br)nc12 Show InChI InChI=1S/C48H56Br2N16O10S2/c49-33-21-35-37(75-29-73-35)23-39(33)77-47-57-41-43(51)53-27-55-45(41)65(47)5-1-3-31-25-63(61-59-31)7-9-67-11-13-69-15-17-71-19-20-72-18-16-70-14-12-68-10-8-64-26-32(60-62-64)4-2-6-66-46-42(44(52)54-28-56-46)58-48(66)78-40-24-38-36(22-34(40)50)74-30-76-38/h21-28H,1-20,29-30H2,(H2,51,53,55)(H2,52,54,56)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Hokkaido University Curated by ChEMBL					Assay Description Displacement of biotin-labeled geldanamycin from N-terminal His-tagged human recombinant HSP90alpha expressed in Escherichia coli				Bioorg Med Chem 18: 5732-7 (2010) Article DOI: 10.1016/j.bmc.2010.05.075 BindingDB Entry DOI: 10.7270/Q2JQ117R
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