BDBM50233913 CHEMBL4073215

SMILES Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O

InChI Key InChIKey=QESQUQBNRUZICQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50233913   

TargetAutotaxin(Human)
University of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50233913(CHEMBL4073215)
Affinity DataIC50: 300nMAssay Description:Inhibition of ATX in human MDA-MB-435S cells using lysophosphatidyl choline as substrate preincubated for 15 mins followed by substrate addition meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Human)
University of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50233913(CHEMBL4073215)
Affinity DataIC50: 81nMAssay Description:Inhibition of human ATX expressed in HEK293 Flp-In cells using LPC as substrate measured every 30 sec for 90 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Human)
University of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50233913(CHEMBL4073215)
Affinity DataIC50: 5nMAssay Description:Inhibition of recombinant human ATX using bisP-nitrophenyl phosphate as substrate measured after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)