BDBM562295 (S)-4-(3-fluoro-5-(3- (methylamino)-1- (thiophen-2- yl)propoxy)phenyl)-1- methyl-1,2,3,4- tetrahydro-5H- pyrido[2,3- e][1,4]diazepin-5-one::US11401270, Example 120

SMILES CNCCC(Oc1cc(F)cc(c1)N1CCN(C)c2ncccc2C1=O)c1cccs1

InChI Key InChIKey=RLZWCAGKVPJBIL-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 562295   

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

US Patent
LigandPNGBDBM562295(US11401270, Example 120 | (S)-4-(3-fluoro-5-(3- (m...)
Affinity DataKi: <100nMAssay Description:Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2022
Entry Details
Go to US Patent

TargetSodium-dependent noradrenaline transporter(Human)
Esteve Pharmaceuticals

US Patent
LigandPNGBDBM562295(US11401270, Example 120 | (S)-4-(3-fluoro-5-(3- (m...)
Affinity DataKi: <100nMAssay Description:Human norepinephrine transporter (NET) enriched membranes (5 μg) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer contain...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2022
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM562295(US11401270, Example 120 | (S)-4-(3-fluoro-5-(3- (m...)
Affinity DataKi: <100nMAssay Description:Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2022
Entry Details
Go to US Patent