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

InChI Key: InChIKey=JEQKKBLDCUBLCH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50385993   
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))		BDBM50385993
PNG
(CHEMBL2042760)
Show SMILES CN(Cc1ccccc1Br)C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O
Show InChI InChI=1S/C24H22BrN3O2/c1-15-6-5-7-16(10-15)11-21-18-12-19(23(29)13-22(18)27-26-21)24(30)28(2)14-17-8-3-4-9-20(17)25/h3-10,12-13,29H,11,14H2,1-2H3,(H,26,27)
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n/an/a 780n/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