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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosine Kinase (AK)' and Ligand = 'BDBM50135888'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50135888
PNG
(5-(4-Bromo-thiophen-2-yl)-6-(3,4-dimethoxy-phenyl)...)
Show SMILES COCCN(C)c1ccc(cc1)-c1nc2ncnc(N)c2c(-c2cc(Br)cs2)c1-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C29H28BrN5O3S/c1-35(11-12-36-2)20-8-5-17(6-9-20)27-24(18-7-10-21(37-3)22(13-18)38-4)25(23-14-19(30)15-39-23)26-28(31)32-16-33-29(26)34-27/h5-10,13-16H,11-12H2,1-4H3,(H2,31,32,33,34)
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Article
PubMed
n/an/a 0.980n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition adenosine kinase activity in rat brain in vitro


J Med Chem 46: 5249-57 (2003)

More data for this
Ligand-Target Pair