BDBM352382 ((3aR,6aR)-5-(2-Cyclopropyl-6-((tetrahydro-2H-pyran-4-yl)methoxy)isonicotinoyl)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(6,7-dihydro-1H-[1,2,3]triazolo[4,5-c]pyridin-5(4H)-yl)methanone::US10654857, Example 5.05::US11098048, Example 5::US9802944, Example 5

SMILES O=C(N1C[C@H]2CN(C[C@@H]2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)N1CCc2[nH]nnc2C1

InChI Key InChIKey=ACTRSKZFXVVKJF-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 352382   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352382(US9802944, Example 5 | ((3aR,6aR)-5-(2-Cyclopropyl...)
Affinity DataIC50: 16nMAssay 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
LigandPNGBDBM352382(US9802944, Example 5 | ((3aR,6aR)-5-(2-Cyclopropyl...)
Affinity DataIC50: 16nMAssay 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
LigandPNGBDBM352382(US9802944, Example 5 | ((3aR,6aR)-5-(2-Cyclopropyl...)
Affinity DataIC50: 16nMAssay 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
LigandPNGBDBM352382(US9802944, Example 5 | ((3aR,6aR)-5-(2-Cyclopropyl...)
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
LigandPNGBDBM352382(US9802944, Example 5 | ((3aR,6aR)-5-(2-Cyclopropyl...)
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
LigandPNGBDBM352382(US9802944, Example 5 | ((3aR,6aR)-5-(2-Cyclopropyl...)
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
LigandPNGBDBM352382(US9802944, Example 5 | ((3aR,6aR)-5-(2-Cyclopropyl...)
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
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM352382(US9802944, Example 5 | ((3aR,6aR)-5-(2-Cyclopropyl...)
Affinity DataIC50: 16nMAssay 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