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SMILES: CCNC(=O)c1cc(on1)C(=O)Nc1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC

InChI Key: InChIKey=RCEBRZRZEORPHG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50361711   
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))		BDBM50361711
PNG
(CHEMBL1941060)
Show SMILES CCNC(=O)c1cc(on1)C(=O)Nc1c(noc1-c1cc(C(C)C)c(O)cc1O)C(=O)NCC
Show InChI InChI=1S/C22H25N5O7/c1-5-23-20(30)13-8-16(33-26-13)21(31)25-17-18(22(32)24-6-2)27-34-19(17)12-7-11(10(3)4)14(28)9-15(12)29/h7-10,28-29H,5-6H2,1-4H3,(H,23,30)(H,24,32)(H,25,31)
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n/an/a 24n/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