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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for UniProtKB: P35790   
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
Choline kinase alpha


(Homo sapiens (Human))
BDBM50496847
PNG
(CHEMBL3219756)
Show SMILES [Br-].[Br-].CN(C)c1cc[n+](CCCCCCCCCCCCCC[n+]2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C28H48N4/c1-29(2)27-17-23-31(24-18-27)21-15-13-11-9-7-5-6-8-10-12-14-16-22-32-25-19-28(20-26-32)30(3)4/h17-20,23-26H,5-16,21-22H2,1-4H3/q+2
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 520n/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of CHKA in human HCT116 cells assessed as [3H]phosphocholine formation using [3H]choline chloride as substrate incubated for 1 hr prior to...


Medchemcomm 2013: 693-696 (2013)


Article DOI: 10.1039/C3MD00068K
BindingDB Entry DOI: 10.7270/Q28055KP
More data for this
Ligand-Target Pair
Choline kinase alpha


(Homo sapiens (Human))
BDBM50496846
PNG
(CHEMBL228000)
Show SMILES [Br-].[Br-].CN(C)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C26H44N4/c1-27(2)25-15-21-29(22-16-25)19-13-11-9-7-5-6-8-10-12-14-20-30-23-17-26(18-24-30)28(3)4/h15-18,21-24H,5-14,19-20H2,1-4H3/q+2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Imperial College

Curated by ChEMBL


Assay Description
Inhibition of CHKA in human HCT116 cells assessed as [3H]phosphocholine formation using [3H]choline chloride as substrate incubated for 1 hr prior to...


Medchemcomm 2013: 693-696 (2013)


Article DOI: 10.1039/C3MD00068K
BindingDB Entry DOI: 10.7270/Q28055KP
More data for this
Ligand-Target Pair