BDBM436318 2-(ethylamino)-9- methyl-6-(3-(5-methyl- 1,3,4-oxadiazol-2- yl)phenyl)-6,7,8,9- tetrahydro-5H- pyrimido[4,5- e][1,4]diazepin-5-one::US10590140, Example 97

SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O

InChI Key InChIKey=UUKNXPMVCQJCPY-UHFFFAOYSA-N

Data  4 KI  2 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 6 hits for monomerid = 436318   

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436318(US10590140, Example 97 | 2-(ethylamino)-9- methyl-...)
Affinity DataIC50: 1.00E+4nMAssay 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
LigandPNGBDBM436318(US10590140, Example 97 | 2-(ethylamino)-9- methyl-...)
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
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436318(US10590140, Example 97 | 2-(ethylamino)-9- methyl-...)
Affinity DataKi:  81nMAssay 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 [25-1103](Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM436318(US10590140, Example 97 | 2-(ethylamino)-9- methyl-...)
Affinity DataKi: <100nMAssay 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-2(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436318(US10590140, Example 97 | 2-(ethylamino)-9- methyl-...)
Affinity DataKi:  2.97E+3nMAssay Description:Displacement of [3H]-gabapentin from human Cav alpha2delta2 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
TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436318(US10590140, Example 97 | 2-(ethylamino)-9- methyl-...)
Affinity DataKi: >1.00E+4nMAssay 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