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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Choline/ethanolamine kinase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Choline/ethanolamine kinase


(Homo sapiens)
BDBM50447102
PNG
(CHEMBL3112879)
Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(cc4)=[N+](C)c4ccc(Cl)cc4)cc3)cc2)cc1
Show InChI InChI=1S/C37H41ClN4/c1-39(2)35-20-24-41(25-21-35)28-32-12-8-30(9-13-32)6-4-5-7-31-10-14-33(15-11-31)29-42-26-22-37(23-27-42)40(3)36-18-16-34(38)17-19-36/h8-27H,4-7,28-29H2,1-3H3/q+2
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Article
PubMed
n/an/an/a 2.20E+4n/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Binding affinity to human CK-beta by tryptophan fluorescence spectroscopic analysis


Citation and Details
More data for this
Ligand-Target Pair