BDBM50579758 CHEMBL5085127

SMILES Cc1csc(n1)NC(=O)C2CCC(CC2)n3cnc4c3nc(nc4N)Cl

InChI Key InChIKey=JIOZKGZDCQTDDN-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50579758   

TargetCholine kinase alpha(Human)
Nerviano Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50579758(CHEMBL5085127)
Affinity DataIC50: 49nMAssay 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
LigandPNGBDBM50579758(CHEMBL5085127)
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