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Patent code US9453021

Compile Data Set for Download or QSAR
Found 17 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
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247432
PNG
(US9453021, 39)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ncn(CCCN(C)C)c3=O)C2=O
Show InChI InChI=1S/C25H32N8O2/c1-4-26-25-27-14-19-22(29-25)32-13-6-8-17(32)15-33(24(19)35)20-10-5-9-18-21(20)28-16-31(23(18)34)12-7-11-30(2)3/h5,9-10,14,16-17H,4,6-8,11-13,15H2,1-3H3,(H,26,27,29)/t17-/m0/s1
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247431
PNG
(US9453021, 38)
Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ncn(CCCN(C)C)c3=O)C2=O
Show InChI InChI=1S/C24H30N8O2/c1-25-24-26-13-18-21(28-24)31-12-5-7-16(31)14-32(23(18)34)19-9-4-8-17-20(19)27-15-30(22(17)33)11-6-10-29(2)3/h4,8-9,13,15-16H,5-7,10-12,14H2,1-3H3,(H,25,26,28)/t16-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247426
PNG
(US9453021, 10)
Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ncn(C)c3=O)C2=O
Show InChI InChI=1S/C20H21N7O2/c1-21-20-22-9-14-17(24-20)26-8-4-5-12(26)10-27(19(14)29)15-7-3-6-13-16(15)23-11-25(2)18(13)28/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H,21,22,24)/t12-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247439
PNG
(US9453021, 113)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1c[nH]c3ncn(C)c(=O)c13)C2=O
Show InChI InChI=1S/C19H22N8O2/c1-3-20-19-22-7-12-16(24-19)26-6-4-5-11(26)9-27(17(12)28)13-8-21-15-14(13)18(29)25(2)10-23-15/h7-8,10-11,21H,3-6,9H2,1-2H3,(H,20,22,24)/t11-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247427
PNG
(US9453021, 11)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1nc(C)n(C)c3=O)C2=O
Show InChI InChI=1S/C22H25N7O2/c1-4-23-22-24-11-16-19(26-22)28-10-6-7-14(28)12-29(21(16)31)17-9-5-8-15-18(17)25-13(2)27(3)20(15)30/h5,8-9,11,14H,4,6-7,10,12H2,1-3H3,(H,23,24,26)/t14-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247424
PNG
(US9453021, 7)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccn3c1nc(C)c(C)c3=O)C2=O
Show InChI InChI=1S/C22H25N7O2/c1-4-23-22-24-11-16-18(26-22)27-9-5-7-15(27)12-29(21(16)31)17-8-6-10-28-19(17)25-14(3)13(2)20(28)30/h6,8,10-11,15H,4-5,7,9,12H2,1-3H3,(H,23,24,26)/t15-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247437
PNG
(US9453021, 97)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1scc3c1ncn(C)c3=O)C2=O
Show InChI InChI=1S/C19H21N7O2S/c1-3-20-19-21-7-12-15(23-19)25-6-4-5-11(25)8-26(17(12)28)18-14-13(9-29-18)16(27)24(2)10-22-14/h7,9-11H,3-6,8H2,1-2H3,(H,20,21,23)/t11-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247436
PNG
(US9453021, 71)
Show SMILES CCCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ncn(C)c3=O)C2=O
Show InChI InChI=1S/C22H25N7O2/c1-3-9-23-22-24-11-16-19(26-22)28-10-5-6-14(28)12-29(21(16)31)17-8-4-7-15-18(17)25-13-27(2)20(15)30/h4,7-8,11,13-14H,3,5-6,9-10,12H2,1-2H3,(H,23,24,26)/t14-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247438
PNG
(US9453021, 112)
Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1c[nH]c3ncn(C)c(=O)c13)C2=O
Show InChI InChI=1S/C18H20N8O2/c1-19-18-21-6-11-15(23-18)25-5-3-4-10(25)8-26(16(11)27)12-7-20-14-13(12)17(28)24(2)9-22-14/h6-7,9-10,20H,3-5,8H2,1-2H3,(H,19,21,23)/t10-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247434
PNG
(US9453021, 65)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1nc(COC)n(C)c3=O)C2=O
Show InChI InChI=1S/C23H27N7O3/c1-4-24-23-25-11-16-20(27-23)29-10-6-7-14(29)12-30(22(16)32)17-9-5-8-15-19(17)26-18(13-33-3)28(2)21(15)31/h5,8-9,11,14H,4,6-7,10,12-13H2,1-3H3,(H,24,25,27)/t14-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247429
PNG
(US9453021, 15)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3ncn(C)c(=O)c13)C2=O
Show InChI InChI=1S/C21H23N7O2/c1-3-22-21-23-10-14-18(25-21)27-9-5-6-13(27)11-28(19(14)29)16-8-4-7-15-17(16)20(30)26(2)12-24-15/h4,7-8,10,12-13H,3,5-6,9,11H2,1-2H3,(H,22,23,25)/t13-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247428
PNG
(US9453021, 14)
Show SMILES CCn1cnc2c(cccc2c1=O)N1C[C@@H]2CCCN2c2nc(NC)ncc2C1=O
Show InChI InChI=1S/C21H23N7O2/c1-3-26-12-24-17-14(19(26)29)7-4-8-16(17)28-11-13-6-5-9-27(13)18-15(20(28)30)10-23-21(22-2)25-18/h4,7-8,10,12-13H,3,5-6,9,11H2,1-2H3,(H,22,23,25)/t13-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247435
PNG
(US9453021, 68)
Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cncc3c1ncn(C)c3=O)C2=O
Show InChI InChI=1S/C19H20N8O2/c1-20-19-22-7-13-16(24-19)26-5-3-4-11(26)9-27(18(13)29)14-8-21-6-12-15(14)23-10-25(2)17(12)28/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,22,24)/t11-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247425
PNG
(US9453021, 8)
Show SMILES CNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccn3c1nc(C)c(C)c3=O)C2=O
Show InChI InChI=1S/C21H23N7O2/c1-12-13(2)24-18-16(7-5-9-27(18)19(12)29)28-11-14-6-4-8-26(14)17-15(20(28)30)10-23-21(22-3)25-17/h5,7,9-10,14H,4,6,8,11H2,1-3H3,(H,22,23,25)/t14-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247433
PNG
(US9453021, 59)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1nc(C)n(CCF)c3=O)C2=O
Show InChI InChI=1S/C23H26FN7O2/c1-3-25-23-26-12-17-20(28-23)30-10-5-6-15(30)13-31(22(17)33)18-8-4-7-16-19(18)27-14(2)29(11-9-24)21(16)32/h4,7-8,12,15H,3,5-6,9-11,13H2,1-2H3,(H,25,26,28)/t15-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247430
PNG
(US9453021, 17)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccc3c1ccn(C)c3=O)C2=O
Show InChI InChI=1S/C22H24N6O2/c1-3-23-22-24-12-17-19(25-22)27-10-5-6-14(27)13-28(21(17)30)18-8-4-7-16-15(18)9-11-26(2)20(16)29/h4,7-9,11-12,14H,3,5-6,10,13H2,1-2H3,(H,23,24,25)/t14-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
Gama-aminobutyric acid (GABA) alpha 2 delta


(Rattus norvegicus (Rat))
BDBM247423
PNG
(US9453021, 3)
Show SMILES CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccn3c1nc(C)cc3=O)C2=O
Show InChI InChI=1S/C21H23N7O2/c1-3-22-21-23-11-15-18(25-21)26-8-4-6-14(26)12-28(20(15)30)16-7-5-9-27-17(29)10-13(2)24-19(16)27/h5,7,9-11,14H,3-4,6,8,12H2,1-2H3,(H,22,23,25)/t14-/m0/s1
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Kyowa Hakko Kirin Co., Ltd.

US Patent


Assay Description
A test compound (20 μL) diluted to 5 times of the final concentration with Binding buffer, [3H]-gabapentin diluted to 100 nmol/L with binding buff...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%