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Patent code US9663479

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cav1.2/β3/α2δ-1 Calcium Channel


(Homo sapiens (Human))
BDBM327851
PNG
(US9663479, Formula 2 peak 2 (chiral))
Show SMILES CCC1=CC2C(C[C@]2(CN)Cc2nn[nH]n2)C1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



Novassay S.A.

US Patent


Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and...


US Patent US9663479 (2017)


BindingDB Entry DOI: 10.7270/Q2FT8P41
More data for this
Ligand-Target Pair
Cav1.2/β3/α2δ-1 Calcium Channel


(Homo sapiens (Human))
BDBM327848
PNG
(US9663479, Formula 2 (Racemic))
Show SMILES CCC1=C[C@@H]2[C@@H](C[C@]2(CN)Cc2nn[nH]n2)C1
PDB
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n/an/a 4.20n/an/an/an/an/an/a



Novassay S.A.

US Patent


Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and...


US Patent US9663479 (2017)


BindingDB Entry DOI: 10.7270/Q2FT8P41
More data for this
Ligand-Target Pair
Cav1.2/β3/α2δ-1 Calcium Channel


(Homo sapiens (Human))
BDBM327849
PNG
(US9663479, Formula 3 (Racemic))
Show SMILES CCC1=C[C@@H]2[C@@H](C[C@]2(CN)Cc2nc(=O)o[nH]2)C1
PDB
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n/an/a 19n/an/an/an/an/an/a



Novassay S.A.

US Patent


Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and...


US Patent US9663479 (2017)


BindingDB Entry DOI: 10.7270/Q2FT8P41
More data for this
Ligand-Target Pair
Cav1.2/β3/α2δ-1 Calcium Channel


(Homo sapiens (Human))
BDBM327847
PNG
(US9663479, Pregabalin)
Show SMILES CC(C)CC(CN)CC(O)=O
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
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n/an/a 23n/an/an/an/an/an/a



Novassay S.A.

US Patent


Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and...


US Patent US9663479 (2017)


BindingDB Entry DOI: 10.7270/Q2FT8P41
More data for this
Ligand-Target Pair
Cav1.2/β3/α2δ-1 Calcium Channel


(Homo sapiens (Human))
BDBM327850
PNG
(US9663479, Formula 2 peak 1 (Chiral))
Show SMILES CCC1=CC2C(C[C@@]2(CN)Cc2nn[nH]n2)C1
PDB
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n/an/a 165n/an/an/an/an/an/a



Novassay S.A.

US Patent


Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and...


US Patent US9663479 (2017)


BindingDB Entry DOI: 10.7270/Q2FT8P41
More data for this
Ligand-Target Pair
Cav1.2/β3/α2δ-1 Calcium Channel


(Homo sapiens (Human))
BDBM327852
PNG
(US9663479, Formula 1 (Racemic))
Show SMILES CCNC[C@]1(Cc2nnn[nH]2)C[C@H]2CC(CC)=C[C@@H]12
PDB
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n/an/a>500n/an/an/an/an/an/a



Novassay S.A.

US Patent


Assay Description
This section describes a scintillation proximity assay (SPA) to measure [3H] gabapentin ([3H]GBP) binding to membranes containing α2δ-1 and...


US Patent US9663479 (2017)


BindingDB Entry DOI: 10.7270/Q2FT8P41
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%