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SMILES: CNCC[C@H](Oc1ccc(CN2CCN(C)c3nc(N)ccc3C2=O)c(F)c1)c1cccc(F)c1

InChI Key:

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 562328   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562328
PNG
((S)-8-amino-4-(2-fluoro- 4-(1-(3-fluorophenyl)-3- ...)
Show SMILES CNCC[C@H](Oc1ccc(CN2CCN(C)c3nc(N)ccc3C2=O)c(F)c1)c1cccc(F)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562328
PNG
((S)-8-amino-4-(2-fluoro- 4-(1-(3-fluorophenyl)-3- ...)
Show SMILES CNCC[C@H](Oc1ccc(CN2CCN(C)c3nc(N)ccc3C2=O)c(F)c1)c1cccc(F)c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM562328
PNG
((S)-8-amino-4-(2-fluoro- 4-(1-(3-fluorophenyl)-3- ...)
Show SMILES CNCC[C@H](Oc1ccc(CN2CCN(C)c3nc(N)ccc3C2=O)c(F)c1)c1cccc(F)c1 |r|
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human norepinephrine transporter (NET) enriched membranes (5 μg) were incubated with 5 nM of radiolabeled [3H]-Nisoxetin in assay buffer contain...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair