BDBM50145943 CHEMBL3763801

SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)cc2)CC1

InChI Key InChIKey=TWFFUNAOPDQCSB-UHFFFAOYSA-N

Data  2 IC50  1 Kd

  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 3 hits for monomerid = 50145943   

TargetCholine kinase alpha(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50145943(CHEMBL3763801)
Affinity DataKd:  382nMAssay Description:Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/15/2017
Entry Details Article
PubMed
TargetCholine kinase alpha(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50145943(CHEMBL3763801)
Affinity DataIC50: 457nMAssay Description:Inhibition of human N-terminal truncated ChoKalpha1 (75 to 457 residues) using choline chloride as substrate measured over 10 to 30 mins by coupled A...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/15/2017
Entry Details Article
PubMed
TargetCholine kinase alpha(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50145943(CHEMBL3763801)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of ChoKalpha in human MDA-MB-468 cells assessed as reduction in phosphocholine level after 24 hrs by NMR analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/15/2017
Entry Details Article
PubMed