BDBM376877 4-(1,4-diazepan-1-ylmethyl)-1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol hydrochloride (E7)::US9920053, Example 7

SMILES OC1(CN2CCCNCC2)CCN(CC1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F

InChI Key InChIKey=MYMJLIYEKOEEJB-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 = 376877   

TargetSodium-dependent dopamine transporter(Human)
Chronos Therapeutics

US Patent
LigandPNGBDBM376877(4-(1,4-diazepan-1-ylmethyl)-1-[4-(3-fluorophenoxy)...)
Affinity DataIC50: 8.71nMAssay 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
LigandPNGBDBM376877(4-(1,4-diazepan-1-ylmethyl)-1-[4-(3-fluorophenoxy)...)
Affinity DataIC50: 295nMAssay 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
LigandPNGBDBM376877(4-(1,4-diazepan-1-ylmethyl)-1-[4-(3-fluorophenoxy)...)
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
LigandPNGBDBM376877(4-(1,4-diazepan-1-ylmethyl)-1-[4-(3-fluorophenoxy)...)
Affinity DataIC50: 2.95E+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