BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Choline/ethanolamine kinase'   
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/ethanolamine kinase


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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


J Med Chem 57: 507-15 (2014)


Article DOI: 10.1021/jm401665x
BindingDB Entry DOI: 10.7270/Q2M90B47
More data for this
Ligand-Target Pair
Choline/ethanolamine kinase


(Homo sapiens (Human))
BDBM50239117
PNG
(CHEMBL4060768)
Show SMILES Fc1cc(F)cc(c1)N1CCC[C@@H]1c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N1CCOCC1
Show InChI InChI=1/C28H29F2N3O5/c29-19-14-20(30)16-21(15-19)33-3-1-2-24(33)22-12-18(28(35)32-6-10-37-11-7-32)13-23-25(34)17-26(38-27(22)23)31-4-8-36-9-5-31/h12-17,24H,1-11H2/t24-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


Bioorg Med Chem Lett 27: 1949-1954 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.027
BindingDB Entry DOI: 10.7270/Q2SB47W8
More data for this
Ligand-Target Pair