BDBM50641342 CHEMBL5569276

SMILES O=c1cc(-c2cn(Cc3ccccc3)c3ccccc23)oc2cc(O)cc(O)c12

InChI Key

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50641342   

TargetAutotaxin(Human)
European Molecular Biology Laboratory

Curated by ChEMBL
LigandPNGBDBM50641342(CHEMBL5569276)
Affinity DataIC50: 810nMAssay Description:Inhibition of recombinant human ATXgamma using LPC16:0 as substrate measured every 60 sec for 50 mins by choline release assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Human)
European Molecular Biology Laboratory

Curated by ChEMBL
LigandPNGBDBM50641342(CHEMBL5569276)
Affinity DataIC50: 820nMAssay Description:Inhibition of recombinant human ATXbeta using LPC18:1 as substrate measured every 60 sec for 50 mins by choline release assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Human)
European Molecular Biology Laboratory

Curated by ChEMBL
LigandPNGBDBM50641342(CHEMBL5569276)
Affinity DataIC50: 880nMAssay Description:Inhibition of recombinant human ATXbeta using LPC16:0 as substrate measured every 60 sec for 50 mins by choline release assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Human)
European Molecular Biology Laboratory

Curated by ChEMBL
LigandPNGBDBM50641342(CHEMBL5569276)
Affinity DataIC50: 1.25E+3nMAssay Description:Inhibition of recombinant human ATXgamma using LPC18:1 as substrate measured every 60 sec for 50 mins by choline release assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)