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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Choline kinase alpha' and Ligand = 'BDBM50556491'   
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
Choline kinase alpha


(Homo sapiens (Human))
BDBM50556491
PNG
(CHEMBL4784458)
Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccc(cc3)-c3ccccc3)c2c1)N1CCCCCC1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CKalpha1 assessed as reduction in 14C incorporation from [methyl-14C]choline to phosphatidylcholine using [methyl-14C]choline as ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens (Human))
BDBM50556491
PNG
(CHEMBL4784458)
Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccc(cc3)-c3ccccc3)c2c1)N1CCCCCC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 370n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT
More data for this
Ligand-Target Pair