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SMILES: COc1cc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)ccc1Cl

InChI Key: InChIKey=ASZMRYJQUICXIL-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50386048   
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))		BDBM50386048
PNG
(CHEMBL2042765)
Show SMILES COc1cc(CN(C)C(=O)c2cc3c(Cc4cccc(C)c4)n[nH]c3cc2O)ccc1Cl
Show InChI InChI=1S/C25H24ClN3O3/c1-15-5-4-6-16(9-15)10-21-18-12-19(23(30)13-22(18)28-27-21)25(31)29(2)14-17-7-8-20(26)24(11-17)32-3/h4-9,11-13,30H,10,14H2,1-3H3,(H,27,28)
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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