BDBM50187693 CHEMBL3186509

SMILES Clc1cc(Cl)cc(COC(=O)N2CCN(CCC(=O)c3ccc4[nH]c(=O)oc4c3)CC2)c1

InChI Key InChIKey=JMSUDQYHPSNBSN-UHFFFAOYSA-N

Data  24 IC50

PDB links: 3 PDB IDs match 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 24 hits for monomerid = 50187693   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  2.80nMAssay Description:Inhibition of human recombinant ATX using FS3 as substrate incubated for 30 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Rattus norvegicus)
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of rat ATX lysoPLD activity using LPC as substrate assessed as reduction in choline release measured after 60 mins by HVA fluorescence bas...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  3nMAssay Description:Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  2.80nMAssay Description:Inhibition of human ATX expressed in HEK293 cells using FS-3 as substrate preincubated for 15 mins followed by substrate addition measured after 30 m...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of ATX (unknown origin) assessed as decrease in choline releaseMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  2.70E+3nMAssay Description:Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Mus musculus)
National And Kapodistrian University Of Athens

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  2.80nMAssay Description:Inhibition of recombinant mouse ATX expressed in HEK293 cells using FS3 as substrate preincubated for 15 mins followed by substrate addition measured...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Mus musculus)
National And Kapodistrian University Of Athens

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  1.70nMAssay Description:Inhibition of recombinant mouse ATX expressed in HEK293 cells using LPC 17:0 as substrate after 30 mins by LC-MS/MS methodMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  101nMAssay Description:Inhibition of ATX in human whole blood assessed as decrease in LPA levels after 2 hrs by LC-MS/MS methodMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  1.70nMAssay Description:Inhibition of recombinant human ATX beta expressed in HEK293 cells using LPC as substrate measured after 30 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  2.80nMAssay Description:Inhibition of recombinant human ATX beta expressed in HEK293 cells using FS-3 as substrate pretreated for 15 mins followed by substrate addition meas...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Rattus norvegicus)
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  307nMAssay Description:Inhibition of ATX in rat whole blood using LPA 17:0 as substrate after 1 hr by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  480nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  3nMAssay Description:Inhibition of human full length ATX expressed in HEK cells using FS-3 as substrate incubated for 15 mins followed by substrate addition measured afte...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  3nMAssay Description:Inhibition of human ATX expressed in HEK293 cells using FS-3 as substrate after 15 minsMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  2.80nMAssay Description:Inhibition of recombinant ATX (unknown origin) expressed in HEK293 cells using FS-3 as substrate after 15 minsMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  100nMAssay Description:Inhibition of autotaxin in healthy human whole blood assessed as reduction in LPA level after 2 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  8.40nMAssay 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
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  44nMAssay 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
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  2.70nMAssay Description:Inhibition of human ATX pre-incubated for 45 mins before fluorogenic substrate-3 addition and measured every minute for 30 mins by fluorescence based...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  2.80nMAssay Description:Inhibition of human ATX by fluorogenic substrate-3 assayMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  4.30nMAssay Description:Inhibition of human C-terminal His6-tagged ATX beta expressed in Sf9 insect cells using FS-3 as substrate preincubated for 45 mins followed by substr...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  3.70nMAssay Description:Negative allosteric modulation activity against human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measure...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187693(CHEMBL3186509)
Affinity DataIC50:  289nMAssay Description:Inhibition of ATX in human plasma assessed as decrease in hydrolysis of lysophosphatidylcholine by measuring choline release after 24 hrs by horserad...More data for this Ligand-Target Pair