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BDBM50117164 5-[3-(3-Bromo-phenyl)-propyl]-6-(6-morpholin-4-yl-pyridin-3-ylethynyl)-pyrimidin-4-ylamine::CHEMBL445566

SMILES: Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1cccc(Br)c1

InChI Key: InChIKey=YNZAYNCLBCHWGK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117164   
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
Adenosine Kinase (AK)


(Rattus norvegicus (rat))
BDBM50117164
PNG
(5-[3-(3-Bromo-phenyl)-propyl]-6-(6-morpholin-4-yl-...)
Show SMILES Nc1ncnc(C#Cc2ccc(nc2)N2CCOCC2)c1CCCc1cccc(Br)c1
Show InChI InChI=1S/C24H24BrN5O/c25-20-5-1-3-18(15-20)4-2-6-21-22(28-17-29-24(21)26)9-7-19-8-10-23(27-16-19)30-11-13-31-14-12-30/h1,3,5,8,10,15-17H,2,4,6,11-14H2,(H2,26,28,29)
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PC cid
PC sid
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Similars

PubMed
n/an/a 3.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory activity against Adenosine kinase (AK)


Citation and Details
More data for this
Ligand-Target Pair