BDBM376881 4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol (E11)::US9920053, Example 11::US9920053, Example 12

SMILES NCC1(O)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F

InChI Key InChIKey=HYEMQFSXSZXWCD-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 376881   

TargetSodium-dependent dopamine transporter(Human)
Chronos Therapeutics

US Patent
LigandPNGBDBM376881(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Affinity DataIC50: 1.91nMAssay Description:The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/4/2020
Entry Details
US Patent

TargetSodium-dependent dopamine transporter(Human)
Chronos Therapeutics

US Patent
LigandPNGBDBM376881(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Affinity DataIC50: 2.75nMAssay Description:The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/4/2020
Entry Details
US Patent

TargetSodium-dependent noradrenaline transporter(Human)
Chronos Therapeutics

US Patent
LigandPNGBDBM376881(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Affinity DataIC50: 145nMAssay Description:The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/4/2020
Entry Details
US Patent

TargetSodium-dependent noradrenaline transporter(Human)
Chronos Therapeutics

US Patent
LigandPNGBDBM376881(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Affinity DataIC50: 347nMAssay Description:The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/4/2020
Entry Details
US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Chronos Therapeutics

US Patent
LigandPNGBDBM376881(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Affinity DataIC50: 1.59E+3nMAssay Description:The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/4/2020
Entry Details
US Patent

TargetSodium-dependent serotonin transporter(Human)
Chronos Therapeutics

US Patent
LigandPNGBDBM376881(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Affinity DataIC50: 7.59E+3nMAssay Description:The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/4/2020
Entry Details
US Patent

TargetSodium-dependent serotonin transporter(Human)
Chronos Therapeutics

US Patent
LigandPNGBDBM376881(4-(aminomethyl)-1-[4-(3-fluorophenoxy)-6-(trifluor...)
Affinity DataIC50: 8.71E+3nMAssay Description:The affinity of the compounds of the invention to the human DAT or NET or SERT transporters is assessed by using the [3H]WIN-35,428 or [3H]nisoxetine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/4/2020
Entry Details
US Patent