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SMILES: Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1S(C)=O

InChI Key: InChIKey=RYSJCXRKXGOBKQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 20814   
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))		BDBM20814
PNG
(2-amino-6-halopurine analogue, 36 | 6-chloro-9-[(4...)
Show SMILES Cc1cnc(Cn2cnc3c(Cl)nc(N)nc23)c(C)c1S(C)=O
Show InChI InChI=1S/C14H15ClN6OS/c1-7-4-17-9(8(2)11(7)23(3)22)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Biogen Idec



Assay Description
EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...

J Med Chem 50: 2767-78 (2007)


Article DOI: 10.1021/jm050752+
BindingDB Entry DOI: 10.7270/Q22Z13ST
More data for this
Ligand-Target Pair