BDBM562289 4-(4-(1-(4- Fluorophenyl)-3- (methylamino)propoxy) benzyl)-1-methyl- 1,2,3,4-tetrahydro-5H- pyrido[2,3- e][1,4]diazepin-5-one::US11401270, Example 115

SMILES CNCCC(Oc1ccc(CN2CCN(C)c3ncccc3C2=O)cc1)c1ccc(F)cc1

InChI Key InChIKey=HFTDHUUOYJCHEB-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 562289   

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM562289(US11401270, Example 115 | 4-(4-(1-(4- Fluorophenyl...)
Affinity DataKi: <100nMAssay Description:Human norepinephrine transporter (NET) enriched membranes (5 μg) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer contain...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2022
Entry Details
US Patent

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM562289(US11401270, Example 115 | 4-(4-(1-(4- Fluorophenyl...)
Affinity DataKi:  1.75E+3nMAssay Description:Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2022
Entry Details
US Patent

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM562289(US11401270, Example 115 | 4-(4-(1-(4- Fluorophenyl...)
Affinity DataKi:  1.75E+3nMAssay Description:Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2022
Entry Details
US Patent