BDBM436328 9-ethyl-2-(ethylamino)- 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 107

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

InChI Key InChIKey=KHEAUDGDAOTKCC-UHFFFAOYSA-N

Data  3 KI  1 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 = 436328   

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

Curated by ChEMBL
LigandPNGBDBM436328(US10590140, Example 107 | 9-ethyl-2-(ethylamino)- ...)
Affinity DataKi:  178nMAssay 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
LigandPNGBDBM436328(US10590140, Example 107 | 9-ethyl-2-(ethylamino)- ...)
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
US Patent

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436328(US10590140, Example 107 | 9-ethyl-2-(ethylamino)- ...)
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
TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436328(US10590140, Example 107 | 9-ethyl-2-(ethylamino)- ...)
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