BDBM352339 4-((3aR,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyran-4-yloxy)nicotinoyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)benzenesulfonamide::US10654857, Example 2.3::US11098048, Example 2::US9802944, Example 2

SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N1C[C@H]2CN(C[C@H]2C1)C(=O)c1cnc(OC2CCOCC2)c(c1)C1CC1

InChI Key InChIKey=GQIYQQWGUUFVAK-UHFFFAOYSA-N

Data  35 IC50

  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 35 hits for monomerid = 352339   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 17nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 9nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 10nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 10nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 40nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 6nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 10nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 5nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 11nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 17nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 14nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 19nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 7nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 7nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 5nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 5nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2), 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2022
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 3nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2), 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2022
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 91nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2), 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2022
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 68.5nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 91nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 3nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 17nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 10nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 40nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 10.5nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 4.5nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 10nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 91nMAssay Description:ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2019
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 20nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 3nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 9nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 11nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 10nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 6nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352339(US9802944, Example 2 | 4-((3aR,6aS)-5-(5-Cycloprop...)
Affinity DataIC50: 12nMAssay Description:Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/1/2021
Entry Details
Go to US Patent