BDBM250327 US10501411, Example 237::US11697636, Example 237::US9452980, 237

SMILES CCSc1ccc(cc1)C(=O)Nc1ccc(cc1)[C@@H]1CCCNC1

InChI Key InChIKey=XAKSSLGBWVETCP-UHFFFAOYSA-N

Data  6 KI

  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 6 hits for monomerid = 250327   

TargetTrace amine-associated receptor 1(Rat)
Hoffmann-La Roche

US Patent
LigandPNGBDBM250327(US9452980, 237 | US10501411, Example 237 | US11697...)
Affinity DataKi:  0.800nM ΔG°:  -12.9kcal/molepH: 7.4 T: 2°CAssay Description:HEK-293 cells stably expressing rat TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, hea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2017
Entry Details
Go to US Patent

TargetTrace amine-associated receptor 1(Rat)
Hoffmann-La Roche

US Patent
LigandPNGBDBM250327(US9452980, 237 | US10501411, Example 237 | US11697...)
Affinity DataKi:  0.800nMAssay Description:The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2023
Entry Details
Go to US Patent

TargetTrace amine-associated receptor 1(Rat)
Hoffmann-La Roche

US Patent
LigandPNGBDBM250327(US9452980, 237 | US10501411, Example 237 | US11697...)
Affinity DataKi:  0.800nMAssay Description:Rat: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2020
Entry Details
Go to US Patent

TargetTrace amine-associated receptor 1(Mouse)
Hoffmann-La Roche

US Patent
LigandPNGBDBM250327(US9452980, 237 | US10501411, Example 237 | US11697...)
Affinity DataKi:  67.7nM ΔG°:  -10.2kcal/molepH: 7.4 T: 2°CAssay Description:HEK-293 cells stably expressing mouse TAAR1 were maintained at 37° C. and 5% CO2 in DMEM high glucose medium, containing fetal calf serum (10%, h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/18/2017
Entry Details
Go to US Patent

TargetTrace amine-associated receptor 1(Mouse)
Hoffmann-La Roche

US Patent
LigandPNGBDBM250327(US9452980, 237 | US10501411, Example 237 | US11697...)
Affinity DataKi:  67.7nMAssay Description:The TAAR1 radioligand 3[H] (S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2023
Entry Details
Go to US Patent

TargetTrace amine-associated receptor 1(Mouse)
Hoffmann-La Roche

US Patent
LigandPNGBDBM250327(US9452980, 237 | US10501411, Example 237 | US11697...)
Affinity DataKi:  67.7nMAssay Description:Mouse: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2020
Entry Details
Go to US Patent