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BDBM20747 2-fluoro-8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-(pent-4-yn-1-yl)-9H-purin-6-amine::Pent-4-ynyl analogue, 28

SMILES: COc1ccc(I)c(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c1

InChI Key: InChIKey=DQJGAHVMXRVGOK-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 20747   
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))
BDBM20747
PNG
(2-fluoro-8-[(2-iodo-5-methoxyphenyl)sulfanyl]-9-(p...)
Show SMILES COc1ccc(I)c(Sc2nc3c(N)nc(F)nc3n2CCCC#C)c1
Show InChI InChI=1S/C17H15FIN5OS/c1-3-4-5-8-24-15-13(14(20)22-16(18)23-15)21-17(24)26-12-9-10(25-2)6-7-11(12)19/h1,6-7,9H,4-5,8H2,2H3,(H2,20,22,23)
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MMDB

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Similars

Article
PubMed
n/an/an/an/a 360n/an/a7.237



Conforma Therapeutics Corporation



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 49: 817-28 (2006)


Article DOI: 10.1021/jm0503087
BindingDB Entry DOI: 10.7270/Q2BC3WT5
More data for this
Ligand-Target Pair