BDBM436576 (S)-2-amino-9-methyl- 6-(3-(3-(methylamino)- 1-(thiophen-2- yl)propoxy)phenyl)- 6,7,8,9-tetrahydro-5H- pyrimido[4,5- e][1,4]diazepin-5-one::US10590140, Example 352

SMILES CNCC[C@H](Oc1cccc(c1)N1CCN(C)c2nc(N)ncc2C1=O)c1cccs1

InChI Key InChIKey=IWLOXSUFFLVQCV-UHFFFAOYSA-N

Data  6 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 436576   

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436576(US10590140, Example 352 | (S)-2-amino-9-methyl- 6-...)
Affinity DataIC50: 7nMAssay Description:Inhibition of human NET expressed in HEK293 cells assessed as reduction in ASP+ uptake incubated for 20 mins before ASP+ addition and measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436576(US10590140, Example 352 | (S)-2-amino-9-methyl- 6-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436576(US10590140, Example 352 | (S)-2-amino-9-methyl- 6-...)
Affinity DataIC50: 7nMAssay Description:Inhibition of NET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436576(US10590140, Example 352 | (S)-2-amino-9-methyl- 6-...)
Affinity DataKi:  59nMAssay Description:Displacement of [3H]-nisoxetine from human NET expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103](Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM436576(US10590140, Example 352 | (S)-2-amino-9-methyl- 6-...)
Affinity DataKi:  300nMAssay Description:α2δ-1: Binding Assay to Human α2δ-1 Subunit of Cav2.2 Calcium Channel.Human α2δ-1 enriched membranes (2.5 μg) were...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2020
Entry Details
Go to US Patent

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436576(US10590140, Example 352 | (S)-2-amino-9-methyl- 6-...)
Affinity DataKi:  300nMAssay Description:NET: Human norepinephrine transporter (NET) enriched membranes (5 μg) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2020
Entry Details
Go to US Patent

TargetVoltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103](Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM436576(US10590140, Example 352 | (S)-2-amino-9-methyl- 6-...)
Affinity DataKi:  300nMAssay Description:α2δ-1: Binding Assay to Human α2δ-1 Subunit of Cav2.2 Calcium Channel.Human α2δ-1 enriched membranes (2.5 μg) were...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/7/2020
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM436576(US10590140, Example 352 | (S)-2-amino-9-methyl- 6-...)
Affinity DataKi:  454nMAssay Description:Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436576(US10590140, Example 352 | (S)-2-amino-9-methyl- 6-...)
Affinity DataKi:  454nMAssay Description:Binding affinity to calcium channel alpha2delta1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed