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SMILES: COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(Cl)c4)n[nH]c3cc2O)cc1

InChI Key: InChIKey=CDUSWPZAZNYPIC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50386040   
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-beta


(Homo sapiens (Human))		BDBM50386040
PNG
(CHEMBL2042880)
Show SMILES COc1ccc(CN(C)C(=O)c2cc3c(Cc4cccc(Cl)c4)n[nH]c3cc2O)cc1
Show InChI InChI=1S/C24H22ClN3O3/c1-28(14-15-6-8-18(31-2)9-7-15)24(30)20-12-19-21(26-27-22(19)13-23(20)29)11-16-4-3-5-17(25)10-16/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)
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n/an/a 800n/an/an/an/an/an/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
More data for this
Ligand-Target Pair