BDBM50641343 CHEMBL5573885

SMILES CCCCCn1cc(c2c1cccc2)C3=CC(=O)c4c(cc(cc4O3)O)O

InChI Key InChIKey=RZGZFONKKPMOLH-UHFFFAOYSA-N

PDB links: 2 PDB IDs match 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 5 hits for monomerid = 50641343   

TargetAutotaxin(Human)
European Molecular Biology Laboratory

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50641343BDBM50641343(CHEMBL5573885)
Affinity DataIC50: 380nMAssay 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
LigandChemical structure of BindingDB Monomer ID 50641343BDBM50641343(CHEMBL5573885)
Affinity DataIC50: 384nMAssay 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
LigandChemical structure of BindingDB Monomer ID 50641343BDBM50641343(CHEMBL5573885)
Affinity DataKi:  432nMAssay Description:Non competitive inhibition of human ATXbeta using LPC18:1 as substrateMore 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
LigandChemical structure of BindingDB Monomer ID 50641343BDBM50641343(CHEMBL5573885)
Affinity DataIC50: 460nMAssay 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
LigandChemical structure of BindingDB Monomer ID 50641343BDBM50641343(CHEMBL5573885)
Affinity DataIC50: 1.10E+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)