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Patent code US9388210

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
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238234
PNG
(US9388210, 14a | US9388210, 6a)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC\C2=C\C#N
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8-/t14-,15+,16-,17-,19+,20-,21+/m0/s1
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US Patent


Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238243
PNG
(US9388210, 16a)
Show SMILES CO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC\C(=C\C#N)[C@@]4(C)CC(=O)[C@H]23)C[C@@H]1O
Show InChI InChI=1S/C22H31NO3/c1-21-11-18(25)20-15(16(21)7-5-13(21)8-9-23)6-4-14-10-17(24)19(26-3)12-22(14,20)2/h8,14-17,19-20,24H,4-7,10-12H2,1-3H3/b13-8-/t14-,15-,16-,17-,19-,20+,21+,22-/m0/s1
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US Patent


Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238245
PNG
(US9388210, 17a)
Show SMILES CO[C@H]1C[C@@]2(C)[C@@H](CC\C2=C\C#N)[C@@H]2CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]12
Show InChI InChI=1S/C22H33NO2/c1-21-10-8-16(24)12-15(21)4-6-17-18-7-5-14(9-11-23)22(18,2)13-19(25-3)20(17)21/h9,15-20,24H,4-8,10,12-13H2,1-3H3/b14-9-/t15-,16+,17-,18-,19-,20+,21-,22+/m0/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238238
PNG
(US9388210, 13a | US9388210, 15a)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC\C2=C\C#N
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8-/t14-,15-,16+,17+,19-,20+,21-/m1/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238234
PNG
(US9388210, 14a | US9388210, 6a)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC\C2=C\C#N
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8-/t14-,15+,16-,17-,19+,20-,21+/m0/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238238
PNG
(US9388210, 13a | US9388210, 15a)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC\C2=C\C#N
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8-/t14-,15-,16+,17+,19-,20+,21-/m1/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238235
PNG
(US9388210, 14b | US9388210, 6b)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC\C2=C/C#N
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8+/t14-,15+,16-,17-,19+,20-,21+/m0/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238244
PNG
(US9388210, 16b)
Show SMILES CO[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC\C(=C/C#N)[C@@]4(C)CC(=O)[C@H]23)C[C@@H]1O
Show InChI InChI=1S/C22H31NO3/c1-21-11-18(25)20-15(16(21)7-5-13(21)8-9-23)6-4-14-10-17(24)19(26-3)12-22(14,20)2/h8,14-17,19-20,24H,4-7,10-12H2,1-3H3/b13-8+/t14-,15-,16-,17-,19-,20+,21+,22-/m0/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238246
PNG
(US9388210, 17b)
Show SMILES CO[C@H]1C[C@@]2(C)[C@@H](CC\C2=C/C#N)[C@@H]2CC[C@H]3C[C@H](O)CC[C@]3(C)[C@@H]12
Show InChI InChI=1S/C22H33NO2/c1-21-10-8-16(24)12-15(21)4-6-17-18-7-5-14(9-11-23)22(18,2)13-19(25-3)20(17)21/h9,15-20,24H,4-8,10,12-13H2,1-3H3/b14-9+/t15-,16+,17-,18-,19-,20+,21-,22+/m0/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238236
PNG
(US9388210, 6c)
Show SMILES C\C(C#N)=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C22H31NO2/c1-13(12-23)17-6-7-18-16-5-4-14-10-15(24)8-9-21(14,2)20(16)19(25)11-22(17,18)3/h14-16,18,20,24H,4-11H2,1-3H3/b17-13-/t14-,15+,16-,18-,20+,21-,22+/m0/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238248
PNG
(US9388210, 5b)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C=O
Show InChI InChI=1S/C20H30O3/c1-19-8-7-14(22)9-12(19)3-5-15-16-6-4-13(11-21)20(16,2)10-17(23)18(15)19/h11-16,18,22H,3-10H2,1-2H3/t12-,13+,14+,15-,16-,18+,19-,20+/m0/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238247
PNG
(US9388210, 5a)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC=C2C=O
Show InChI InChI=1S/C20H28O3/c1-19-8-7-14(22)9-12(19)3-5-15-16-6-4-13(11-21)20(16,2)10-17(23)18(15)19/h4,11-12,14-16,18,22H,3,5-10H2,1-2H3/t12-,14+,15-,16-,18+,19-,20+/m0/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238249
PNG
(US9388210, 5c)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2CC#N
Show InChI InChI=1S/C21H31NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h13-17,19,23H,3-9,11-12H2,1-2H3/t13-,14+,15-,16+,17+,19-,20+,21-/m1/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238239
PNG
(US9388210, 13b | US9388210, 15b)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC\C2=C/C#N
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8+/t14-,15-,16+,17+,19-,20+,21-/m1/s1
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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238237
PNG
(US9388210, 6d)
Show SMILES C\C(C#N)=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Show InChI InChI=1S/C22H31NO2/c1-13(12-23)17-6-7-18-16-5-4-14-10-15(24)8-9-21(14,2)20(16)19(25)11-22(17,18)3/h14-16,18,20,24H,4-11H2,1-3H3/b17-13+/t14-,15+,16-,18-,20+,21-,22+/m0/s1
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US Patent


Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238235
PNG
(US9388210, 14b | US9388210, 6b)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC\C2=C/C#N
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8+/t14-,15+,16-,17-,19+,20-,21+/m0/s1
PDB

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Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-2/gamma-2 subunit


(Rattus norvegicus (Rat))
BDBM238239
PNG
(US9388210, 13b | US9388210, 15b)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC\C2=C/C#N
Show InChI InChI=1S/C21H29NO2/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,14-17,19,23H,3-7,9,11-12H2,1-2H3/b13-8+/t14-,15-,16+,17+,19-,20+,21-/m1/s1
PDB

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US Patent


Assay Description
Briefly, aliquots of membrane solution (0.5 mg/mL final protein concentration in assay) were incubated with 5 μM GABA, 2 nM [35S]TBPS (45−...


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