BDBM446291 1-((3aR,8aS)-2-(1H-Benzo[d][1,2,3]triazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(7H)-yl)-3-(3-fluoro-4-(trifluoromethoxy)phenyl)propan-1-one::US10669268, Example 17::US10669268, Example 17.01::US10669268, Example 17.02::US10669268, Example 17.03::US10669268, Example 17.04::US10669268, Example 17.05::US10669268, Example 17.06::US10669268, Example 17.07::US10669268, Example 17.08::US10669268, Example 17.09::US10669268, Example 17.10::US10669268, Example 17.11::US10669268, Example 17.12::US10669268, Example 17.13::US10669268, Example 17.14::US10669268, Example 17.15::US10669268, Example 17.16::US10669268, Example 17.17::US10669268, Example 17.18::US10669268, Example 17.19::US10669268, Example 17.20

SMILES Fc1cc(CCC(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)ccc1OC(F)(F)F

InChI Key InChIKey=VFWVBZCFPJMYTJ-UHFFFAOYSA-N

Data  21 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 21 hits for monomerid = 446291   

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 21nMAssay 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:
2/21/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 2nMAssay 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:
2/21/2021
Entry Details
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TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 12nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 14nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 4nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 309nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 47nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 464nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 31nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 32nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 28nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 4nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 58nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 43nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 10nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 6nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 8nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 101nMAssay 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:
2/21/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Hoffmann-La Roche

US Patent
LigandPNGBDBM446291(US10669268, Example 17 | US10669268, Example 17.07...)
Affinity DataIC50: 85nMAssay 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:
2/21/2021
Entry Details
Go to US Patent