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Patent code US9365502

Compile Data Set for Download or QSAR
Found 18 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
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235902
PNG
(US9365502, MQ-87)
Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)C3CC1CC[C@@H]2C#N
Show InChI InChI=1S/C20H31NO/c1-19-8-7-17(22)9-14(19)4-3-13-11-20(2)15(10-18(13)19)5-6-16(20)12-21/h13-18,22H,3-11H2,1-2H3/t13-,14-,15?,16-,17+,18?,19-,20+/m1/s1
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UniChem
US Patent
n/an/a 14n/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235905
PNG
(US9365502, MQ-85)
Show SMILES C[C@]12C[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H]1CC[C@@]21CO1
Show InChI InChI=1S/C20H32O2/c1-18-7-6-16(21)9-14(18)4-3-13-11-19(2)15(10-17(13)18)5-8-20(19)12-22-20/h13-17,21H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19-,20+/m0/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235901
PNG
(US9365502, MQ-86)
Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@@]4(C)C3CC1CC=C2C#N
Show InChI InChI=1S/C20H29NO/c1-19-8-7-17(22)9-14(19)4-3-13-11-20(2)15(10-18(13)19)5-6-16(20)12-21/h6,13-15,17-18,22H,3-5,7-11H2,1-2H3/t13-,14-,15?,17+,18?,19-,20+/m1/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235900
PNG
(US9365502, MQ-37)
Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CCC4C3CC1CC[C@@]21CO1
Show InChI InChI=1S/C19H30O2/c1-18-10-13-3-2-12-8-15(20)4-5-16(12)17(13)9-14(18)6-7-19(18)11-21-19/h12-17,20H,2-11H2,1H3/t12-,13-,14?,15+,16?,17?,18+,19-/m1/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235898
PNG
(US9365502, MQ-38)
Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC[C@@H]2C#N
Show InChI InChI=1S/C19H29NO/c1-19-10-13-3-2-12-8-16(21)6-7-17(12)18(13)9-14(19)4-5-15(19)11-20/h12-18,21H,2-10H2,1H3/t12-,13-,14+,15-,16+,17-,18-,19+/m1/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235894
PNG
(US9365502, MQ-31)
Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC\C2=C\C#N
Show InChI InChI=1S/C20H29NO/c1-20-12-14-3-2-13-10-17(22)6-7-18(13)19(14)11-16(20)5-4-15(20)8-9-21/h8,13-14,16-19,22H,2-7,10-12H2,1H3/b15-8-/t13-,14-,16+,17+,18-,19-,20-/m1/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235897
PNG
(US9365502, MQ-33)
Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC[C@@H]2[N+]([O-])=O
Show InChI InChI=1S/C18H29NO3/c1-18-10-12-3-2-11-8-14(20)5-6-15(11)16(12)9-13(18)4-7-17(18)19(21)22/h11-17,20H,2-10H2,1H3/t11-,12-,13+,14+,15-,16-,17+,18+/m1/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235907
PNG
(US9365502, MQ-39)
Show SMILES CC(=O)[C@H]1CCC2CC3C(CCC4C[C@H](O)CCC34)C[C@]12C
Show InChI InChI=1S/C20H32O2/c1-12(21)19-8-5-15-10-18-14(11-20(15,19)2)4-3-13-9-16(22)6-7-17(13)18/h13-19,22H,3-11H2,1-2H3/t13?,14?,15?,16-,17?,18?,19-,20+/m1/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235896
PNG
(US9365502, MQ-32)
Show SMILES C[C@]12C[C@H]3CC[C@@H]4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CC\C2=C/C#N
Show InChI InChI=1S/C20H29NO/c1-20-12-14-3-2-13-10-17(22)6-7-18(13)19(14)11-16(20)5-4-15(20)8-9-21/h8,13-14,16-19,22H,2-7,10-12H2,1H3/b15-8+/t13-,14-,16+,17+,18-,19-,20-/m1/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235904
PNG
(US9365502, MQ-48)
Show SMILES C[C@]12CC(=O)CC1CC1C(CCC3C[C@H](O)CCC13)C2
Show InChI InChI=1S/C18H28O2/c1-18-9-12-3-2-11-6-14(19)4-5-16(11)17(12)8-13(18)7-15(20)10-18/h11-14,16-17,19H,2-10H2,1H3/t11?,12?,13?,14-,16?,17?,18+/m1/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235899
PNG
(US9365502, MQ-83)
Show SMILES C[C@]12C[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC1CCC2=O
Show InChI InChI=1S/C19H30O2/c1-18-8-7-15(20)9-13(18)4-3-12-11-19(2)14(10-16(12)18)5-6-17(19)21/h12-16,20H,3-11H2,1-2H3/t12-,13+,14?,15+,16-,18-,19+/m1/s1
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235910
PNG
(US9365502, MQ-50)
Show SMILES CC(=O)[C@@H]1CC[C@@H]2C[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@H]34)C[C@@]12C
Show InChI InChI=1S/C20H32O2/c1-12(21)19-8-5-15-10-18-14(11-20(15,19)2)4-3-13-9-16(22)6-7-17(13)18/h13-19,22H,3-11H2,1-2H3/t13-,14-,15+,16+,17-,18-,19-,20+/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235903
PNG
(US9365502, MQ-47)
Show SMILES C[C@@]12CC3CC[C@H]4C[C@H](O)CCC4C3CC1CCC2=O
Show InChI InChI=1S/C18H28O2/c1-18-10-12-3-2-11-8-14(19)5-6-15(11)16(12)9-13(18)4-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12?,13?,14+,15?,16?,18+/m0/s1
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US Patent
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235906
PNG
(US9365502, MQ-49)
Show SMILES C[C@@]12CC3CCC4C[C@H](O)CCC4C3CC1CC[C@H]2C#N
Show InChI InChI=1S/C19H29NO/c1-19-10-13-3-2-12-8-16(21)6-7-17(12)18(13)9-14(19)4-5-15(19)11-20/h12-18,21H,2-10H2,1H3/t12?,13?,14?,15-,16+,17?,18?,19+/m0/s1
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US Patent
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WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235895
PNG
(US9365502, MQ-36)
Show SMILES C[C@]12C[C@H]3CCC4C[C@@H](O)CC[C@H]4[C@@H]3C[C@@H]1CCC2=O
Show InChI InChI=1S/C18H28O2/c1-18-10-12-3-2-11-8-14(19)5-6-15(11)16(12)9-13(18)4-7-17(18)20/h11-16,19H,2-10H2,1H3/t11?,12-,13+,14+,15-,16-,18+/m1/s1
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US Patent
n/an/a 1.73E+3n/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235911
PNG
(US9365502, MQ-54)
Show SMILES C[C@@]12CC3CCC4C[C@H](O)CCC4C3CC1CC[C@]21CO1
Show InChI InChI=1S/C19H30O2/c1-18-10-13-3-2-12-8-15(20)4-5-16(12)17(13)9-14(18)6-7-19(18)11-21-19/h12-17,20H,2-11H2,1H3/t12?,13?,14?,15-,16?,17?,18-,19+/m1/s1
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US Patent
n/an/a 1.99E+3n/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235908
PNG
(US9365502, MQ-53)
Show SMILES C[C@@]12C[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H]1CC[C@]21CO1
Show InChI InChI=1S/C20H32O2/c1-18-7-6-16(21)9-14(18)4-3-13-11-19(2)15(10-17(13)18)5-8-20(19)12-22-20/h13-17,21H,3-12H2,1-2H3/t13-,14-,15+,16+,17-,18+,19+,20-/m0/s1
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US Patent
n/an/a 3.63E+3n/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4


(Rattus norvegicus (Rat))
BDBM235909
PNG
(US9365502, MQ-51)
Show SMILES C[C@@]12C[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@H]4[C@H]3C[C@H]1CCC2=O
Show InChI InChI=1S/C18H28O2/c1-18-10-12-3-2-11-8-14(19)5-6-15(11)16(12)9-13(18)4-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14-,15+,16+,18-/m1/s1
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n/an/a 5.86E+3n/an/an/an/an/an/a



WASHINGTON UNIVERSITY

US Patent


Assay Description
The IC50 values for non-competitive displacers of [35S]-TBPS from the picrotoxin binding site on GABAA receptors.


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