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SMILES: COc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)Cc2ccccc2)c1

InChI Key: InChIKey=LYMCNDKUWQJVLI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50386033   
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))		BDBM50386033
PNG
(CHEMBL2042872)
Show SMILES COc1cccc(Cc2n[nH]c3cc(O)c(cc23)C(=O)N(C)Cc2ccccc2)c1
Show InChI InChI=1S/C24H23N3O3/c1-27(15-16-7-4-3-5-8-16)24(29)20-13-19-21(25-26-22(19)14-23(20)28)12-17-9-6-10-18(11-17)30-2/h3-11,13-14,28H,12,15H2,1-2H3,(H,25,26)
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Article
PubMed
n/an/a 1.40E+3n/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