BDBM50187686 CHEMBL3828074::US10526329, Compound 2::US11072611, Compound 2::US11104665, WO2014/139882 Example 2::US11591342, Compound GLPG1690::US20230295159, Example GLPG1690::US9670204, 2 2-((2-ethyl-6-(4-(2-(3-hydroxyazetidin-1-yl)-2-oxoethyl)piperazin-1-yl)-8-methylimidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile::WO2014139882, Compound 2

SMILES CCc1nc2c(C)cc(cn2c1N(C)c1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCN(CC(=O)N2CC(O)C2)CC1

InChI Key InChIKey=REQQVBGILUTQNN-UHFFFAOYSA-N

Data  1 KI  30 IC50

PDB links: 2 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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50187686   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataKi:  15nMAssay Description:Competitive inhibition of human ATX using LPC (16:0) as substrate after 30 mins by Michaelis-Menten plot analysisMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Rattus norvegicus)
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  131nMAssay 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))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  0.0100nMAssay Description:Inhibition of human ATX using FS3 as substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  131nMAssay Description:Inhibition of recombinant human ATX using lysophosphatidylcholine as substrate by choline release assayMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50: >100nMAssay Description:Inhibition of human ATX using lysophosphatidylcholine as substrate preincubated with enzyme followed by substrate addition measured after 30 mins by ...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  300nMpH: 8.5 T: 2°CAssay Description:Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate. 5 μL of a di...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  100nMAssay Description:Inhibition of ATX (unknown origin)More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of human ERG by manual patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  418nMAssay Description:Inhibition of ATX in mouse plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  1.50E+4nMAssay Description:Inhibition of human ERG by automated patch clamp assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  131nMAssay Description:Inhibition of human ATX using LPC (16:0) as substrate after 30 mins by horseradish peroxidase/choline oxidase coupled enzyme based spectrophotometric...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Rattus norvegicus)
University Of Strathclyde

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  542nMAssay Description:Inhibition of ATX in rat plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  242nMAssay Description:Inhibition of ATX in human plasma assessed as reduction in LPA 18:2 production after 2 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  300nMAssay Description:Compound IC50 values are determined in a hENPP2 (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using LPC as substrate.5 μL of a dil...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  50nMMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  1.30nMAssay 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))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  131nMAssay Description:Inhibition of human ATX by LPC choline release assayMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  3.70nMAssay 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))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  3.10nMAssay Description:Inhibition of glycosylated human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured every 1 min for 30 ...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  300nMAssay Description:TABLE V: 5 μL of a dilution series of compound, starting from 20 μM highest concentration, 1/5 dilution, is added to the wells. hENPP2 is u...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  50nMAssay Description:TABLE VI: (UniProtKB/SwissProt Sequence ref Q13822) biochemical assay using the fluorogenic autotaxin substrate FS-3 as substrate. FS-3 is a doubly l...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  5nMAssay Description:5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition and measured every 1 min for 30 mins by fluor...More data for this Ligand-Target Pair
TargetAtaxin-1(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  5nMAssay Description:5 nM recombinant ATX (Cayman Chemicals) was supplemented to 50 mM Tris buffer (pH 8.0) containing 3 mM KCl, 1 mM CaCl2, 1 mM MgCl2 0.14 mM NaCl, and ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  112nMAssay Description:The tested compounds were dissolved with dimethyl sulfoxide (DMSO) to prepare 20 mM of stock solutions, the stock solutions were subjected to 4-fold ...More data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50: >3.00E+4nMAssay Description:Rapid activation of human delayed rectifier potassium current (IKr) is mainly mediated by hERG ion channel and participates in repolarization of huma...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAtaxin-1(Homo sapiens (Human))
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  245nMAssay Description:Preparation and Treatment. Stock Solution Preparation. A 10 mM DMSO stock solution was formulated for each compound. A 30 mM DMSO stock solution was ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of human ATX using FS-3 as substrate preincubated for 45 mins followed by substrate addition measured every 1 min for 30 mins by fluoresce...More data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  3.90nMAssay 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
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  224nMAssay Description:Inhibition of recombinant mouse ATX using lysophosphatidylcholine as substrate by choline release assayMore data for this Ligand-Target Pair
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 2(Homo sapiens (Human))
Galapagos

Curated by ChEMBL
LigandPNGBDBM50187686(CHEMBL3828074 | US10526329, Compound 2 | US1107261...)
Affinity DataIC50:  100nMAssay Description:Inhibition of ATX in human plasma assessed as inhibition of LPA production after 2 hrs by LC-MS/MS analysisMore data for this Ligand-Target Pair