BDBM562277 (S)-8-amino-1-methyl- 4-(4-(3-(methylamino)- 1-(thiophen-2- yl)propoxy)benzyl)- 1,2,3,4-tetrahydro-5H- pyrido[2,3- e][1,4]diazepin-5-one::US11401270, Example 103

SMILES CNCC[C@H](Oc1ccc(CN2CCN(C)c3nc(N)ccc3C2=O)cc1)c1cccs1

InChI Key InChIKey=XMJZVIRIHVLEIF-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 = 562277   

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM562277(US11401270, Example 103 | (S)-8-amino-1-methyl- 4-...)
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
LigandPNGBDBM562277(US11401270, Example 103 | (S)-8-amino-1-methyl- 4-...)
Affinity DataKi: <100nMAssay 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
LigandPNGBDBM562277(US11401270, Example 103 | (S)-8-amino-1-methyl- 4-...)
Affinity DataKi: <100nMAssay 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