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SMILES: COc1nc(nc(OC)c1Sc1nc(N)cc(NC(=O)C=C)n1)N1CCCCC1

InChI Key: InChIKey=YEKFXRMXGKTUQA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50496452   
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))		BDBM50496452
PNG
(CHEMBL3128272)
Show SMILES COc1nc(nc(OC)c1Sc1nc(N)cc(NC(=O)C=C)n1)N1CCCCC1
Show InChI InChI=1S/C18H23N7O3S/c1-4-13(26)21-12-10-11(19)20-18(22-12)29-14-15(27-2)23-17(24-16(14)28-3)25-8-6-5-7-9-25/h4,10H,1,5-9H2,2-3H3,(H3,19,20,21,22,26)
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n/an/a>2.50E+5n/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of GM-cy3B from Hsp90 in human SKBR3 cells after 24 hrs by fluorescence polarization assay

J Med Chem 57: 1188-207 (2014)


Article DOI: 10.1021/jm401551n
BindingDB Entry DOI: 10.7270/Q21J9DRP
More data for this
Ligand-Target Pair