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SMILES: Nc1ncnc2n(CCCCc3cn(CCCO)nn3)c(Sc3cc4OCOc4cc3Br)nc12

InChI Key: InChIKey=MESLEVWZCOXIHY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50323787   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))		BDBM50323787
PNG
(8-(6-Bromo-3,4-methylenedioxyphenylthio)-9-[{1-(3-...)
Show SMILES Nc1ncnc2n(CCCCc3cn(CCCO)nn3)c(Sc3cc4OCOc4cc3Br)nc12
Show InChI InChI=1S/C21H23BrN8O3S/c22-14-8-15-16(33-12-32-15)9-17(14)34-21-26-18-19(23)24-11-25-20(18)30(21)6-2-1-4-13-10-29(28-27-13)5-3-7-31/h8-11,31H,1-7,12H2,(H2,23,24,25)
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Article
PubMed
n/an/a 510n/an/an/an/an/an/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
More data for this
Ligand-Target Pair