BDBM376888 4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy)phenyl]piperidin-4-ol (E18)::US9920053, Example 18

SMILES NCC1(O)CCN(CC1)c1cc(Oc2cccc(F)c2)cc(F)c1F

InChI Key InChIKey=XFWSYJVLQVKQDN-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 376888   

TargetSodium-dependent dopamine transporter(Human)
Chronos Therapeutics

US Patent
LigandPNGBDBM376888(4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy...)
Affinity DataIC50: 0.891nMAssay 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
LigandPNGBDBM376888(4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy...)
Affinity DataIC50: 30.9nMAssay 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
LigandPNGBDBM376888(4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy...)
Affinity DataIC50: 1.00E+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
LigandPNGBDBM376888(4-(aminomethyl)-1-[2,3-difluoro-5-(3-fluorophenoxy...)
Affinity DataIC50: 6.17E+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