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SMILES: CN1CCN(CC1)c1nc(C)c(Sc2nccc(NC(=O)C(C)=C)n2)c(C)n1

InChI Key: InChIKey=CHFIOGAFCVZTCO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50496448   
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))		BDBM50496448
PNG
(CHEMBL3128291)
Show SMILES CN1CCN(CC1)c1nc(C)c(Sc2nccc(NC(=O)C(C)=C)n2)c(C)n1
Show InChI InChI=1S/C19H25N7OS/c1-12(2)17(27)23-15-6-7-20-19(24-15)28-16-13(3)21-18(22-14(16)4)26-10-8-25(5)9-11-26/h6-7H,1,8-11H2,2-5H3,(H,20,23,24,27)
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n/an/a>5.00E+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