BDBM436549 (S)-8-(ethylamino)-1- methyl-4-(3-(3- (methylamino)-1- (thiophen-2- yl)propoxy)phenyl)- 1,2,3,4-tetrahydro-5H- pyrido[4,3- e][1,4]diazepin-5-one::US10590140, Example 325

SMILES CCNc1cc2N(C)CCN(c3cccc(O[C@@H](CCNC)c4cccs4)c3)C(=O)c2cn1

InChI Key InChIKey=JOLCTAVEKPKHAQ-UHFFFAOYSA-N

Data  5 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 6 hits for monomerid = 436549   

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436549(US10590140, Example 325 | (S)-8-(ethylamino)-1- me...)
Affinity DataKi:  82nMAssay 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
TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436549(US10590140, Example 325 | (S)-8-(ethylamino)-1- me...)
Affinity DataIC50: 210nMAssay 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
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1(Human)
Esteve Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM436549(US10590140, Example 325 | (S)-8-(ethylamino)-1- me...)
Affinity DataKi:  263nMAssay 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
LigandPNGBDBM436549(US10590140, Example 325 | (S)-8-(ethylamino)-1- me...)
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
LigandPNGBDBM436549(US10590140, Example 325 | (S)-8-(ethylamino)-1- me...)
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
US Patent

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

US Patent
LigandPNGBDBM436549(US10590140, Example 325 | (S)-8-(ethylamino)-1- me...)
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