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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 436328   

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

Curated by ChEMBL
LigandPNGBDBM436328(9-ethyl-2-(ethylamino)- 6-(3-(5-methyl-1,3,4- oxad...)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103](Homo sapiens (Human))
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM436328(9-ethyl-2-(ethylamino)- 6-(3-(5-methyl-1,3,4- oxad...)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436328(9-ethyl-2-(ethylamino)- 6-(3-(5-methyl-1,3,4- oxad...)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436328(9-ethyl-2-(ethylamino)- 6-(3-(5-methyl-1,3,4- oxad...)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed