BDBM50579728 CHEMBL5089380

SMILES c1cc(ccc1NC(=O)C2CCC(CC2)n3cnc4c3ncnc4N)S(=O)(=O)C(F)(F)F

InChI Key InChIKey=QWZUCMUBFGMZFO-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50579728   

TargetCholine kinase alpha(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50579728(CHEMBL5089380)
Affinity DataIC50: 290nMAssay Description:Inhibition of ChoKalpha (unknown origin) by HTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCholine/ethanolamine kinase(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50579728(CHEMBL5089380)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of ChoKbeta (unknown origin) by HTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed
TargetCholine kinase alpha(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50579728(CHEMBL5089380)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of ChoKalpha (unknown origin) in presence of 1200 uM ATP by HTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCholine kinase alpha(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50579728(CHEMBL5089380)
Affinity DataIC50: 831nMAssay Description:Inhibition of ChoKalpha (unknown origin) in presence of 400 uM ATP by HTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCholine kinase alpha(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50579728(CHEMBL5089380)
Affinity DataIC50: 479nMAssay Description:Inhibition of ChoKalpha (unknown origin) in presence of 133 uM ATP by HTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCholine kinase alpha(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50579728(CHEMBL5089380)
Affinity DataIC50: 384nMAssay Description:Inhibition of ChoKalpha (unknown origin) in presence of 44 uM ATP by HTS assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)