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SMILES: CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O

InChI Key: InChIKey=SFTMAFQLUQSSIC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50386037   
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))		BDBM50386037
PNG
(CHEMBL2042877)
Show SMILES CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3cccc(Cl)c3)n[nH]c2cc1O
Show InChI InChI=1S/C23H19BrClN3O2/c1-28(13-15-6-2-3-8-19(15)24)23(30)18-11-17-20(26-27-21(17)12-22(18)29)10-14-5-4-7-16(25)9-14/h2-9,11-12,29H,10,13H2,1H3,(H,26,27)
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n/an/a 590n/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