BDBM50535214 CHEMBL4549771

SMILES O=C(CCN1CCc2nc(NC3Cc4ccccc4C3)ncc2C1)c1ccc2[nH]c(=O)oc2c1

InChI Key InChIKey=XQEZVPRVJMIIGM-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
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50535214   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Human)
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50535214(CHEMBL4549771)
Affinity DataIC50: 2.5nMAssay Description:Inhibition of recombinant full length human C-terminal His-tagged autotaxin expressed in human 293E cells assessed as choline release using lysophosp...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Human)
Lilly Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50535214(CHEMBL4549771)
Affinity DataIC50: 42nMAssay Description:Inhibition of autotaxin in healthy human plasma assessed as reduction in LPA level after 3 hrs by mass spectrometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)