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SMILES: CCNC(=O)c1noc(c1NC(=O)c1ccc2ccsc2c1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=AWXZZMFRGLHHFY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50361726   
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))		BDBM50361726
PNG
(CHEMBL1941075)
Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc2ccsc2c1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C24H23N3O5S/c1-4-25-24(31)21-20(26-23(30)14-6-5-13-7-8-33-19(13)9-14)22(32-27-21)16-10-15(12(2)3)17(28)11-18(16)29/h5-12,28-29H,4H2,1-3H3,(H,25,31)(H,26,30)
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Article
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n/an/a 20n/an/an/an/an/an/a



Universit£ degli Studi di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay

J Med Chem 54: 8592-604 (2011)


Article DOI: 10.1021/jm201155e
BindingDB Entry DOI: 10.7270/Q2QF8T9M
More data for this
Ligand-Target Pair