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Patent code US10329320

Compile Data Set for Download or QSAR
Found 66 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 Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403330
PNG
(US10329320, Compound 7)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5c(F)c(F)ccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H39F2N3O3/c1-27(36)12-13-29(16-37-3)17(14-27)4-5-18-19-6-7-21(28(19,2)11-10-20(18)29)24(35)15-34-23-9-8-22(30)25(31)26(23)32-33-34/h8-9,17-21,36H,4-7,10-16H2,1-3H3/t17-,18-,19-,20-,21+,27+,28-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403331
PNG
(US10329320, Compound 8)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5ccc(F)c(F)c5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H39F2N3O3/c1-27(36)12-13-29(16-37-3)17(14-27)4-5-18-19-6-7-21(28(19,2)11-10-20(18)29)24(35)15-34-32-23-9-8-22(30)25(31)26(23)33-34/h8-9,17-21,36H,4-7,10-16H2,1-3H3/t17-,18-,19-,20-,21+,27+,28-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403341
PNG
(US10329320, Compound 18)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc5ccccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H42N2O3/c1-28(34)14-15-30(19-35-3)21(16-28)8-9-22-23-10-11-25(29(23,2)13-12-24(22)30)27(33)18-32-26-7-5-4-6-20(26)17-31-32/h4-7,17,21-25,34H,8-16,18-19H2,1-3H3/t21-,22+,23+,24+,25-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403343
PNG
(US10329320, Compound 20)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5ccc(OC(F)(F)F)cc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H40F3N3O4/c1-27(38)12-13-29(17-39-3)18(15-27)4-6-20-21-7-8-23(28(21,2)11-10-22(20)29)26(37)16-36-34-24-9-5-19(14-25(24)35-36)40-30(31,32)33/h5,9,14,18,20-23,38H,4,6-8,10-13,15-17H2,1-3H3/t18-,20+,21+,22+,23-,27-,28+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403348
PNG
(US10329320, Compound 25)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5ccc(OC)cc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H43N3O4/c1-28(35)13-14-30(18-36-3)19(16-28)5-7-21-22-8-9-24(29(22,2)12-11-23(21)30)27(34)17-33-26-15-20(37-4)6-10-25(26)31-32-33/h6,10,15,19,21-24,35H,5,7-9,11-14,16-18H2,1-4H3/t19-,21+,22+,23+,24-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403351
PNG
(US10329320, Compound 28)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5c(OC)cccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H43N3O4/c1-28(35)14-15-30(18-36-3)19(16-28)8-9-20-21-10-11-23(29(21,2)13-12-22(20)30)25(34)17-33-24-6-5-7-26(37-4)27(24)31-32-33/h5-7,19-23,35H,8-18H2,1-4H3/t19-,20+,21+,22+,23-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403332
PNG
(US10329320, Compound 9)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5c(F)cc(F)cc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H39F2N3O3/c1-27(36)10-11-29(16-37-3)17(14-27)4-5-19-20-6-7-22(28(20,2)9-8-21(19)29)25(35)15-34-24-13-18(30)12-23(31)26(24)32-33-34/h12-13,17,19-22,36H,4-11,14-16H2,1-3H3/t17-,19-,20-,21-,22+,27+,28-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403334
PNG
(US10329320, Compound 11)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5ncc(Cl)cc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C28H39ClN4O3/c1-26(35)10-11-28(16-36-3)17(13-26)4-5-19-20-6-7-22(27(20,2)9-8-21(19)28)24(34)15-33-23-12-18(29)14-30-25(23)31-32-33/h12,14,17,19-22,35H,4-11,13,15-16H2,1-3H3/t17-,19-,20-,21-,22+,26+,27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403336
PNG
(US10329320, Compound 13)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5cc(Cl)cnc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C28H39ClN4O3/c1-26(35)10-11-28(16-36-3)17(13-26)4-5-19-20-6-7-22(27(20,2)9-8-21(19)28)24(34)15-33-31-23-12-18(29)14-30-25(23)32-33/h12,14,17,19-22,35H,4-11,13,15-16H2,1-3H3/t17-,19-,20-,21-,22+,26+,27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403344
PNG
(US10329320, Compound 21 | US10329320, Compound 34)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(SC)cn4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C27H42N2O3S/c1-25(31)11-12-27(17-32-3)18(13-25)5-6-20-21-7-8-23(26(21,2)10-9-22(20)27)24(30)16-29-15-19(33-4)14-28-29/h14-15,18,20-23,31H,5-13,16-17H2,1-4H3/t18-,20+,21+,22+,23-,25-,26+,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403346
PNG
(US10329320, Compound 23)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5c(F)c(Cl)ccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H39ClFN3O3/c1-27(36)12-13-29(16-37-3)17(14-27)4-5-18-19-6-7-21(28(19,2)11-10-20(18)29)24(35)15-34-23-9-8-22(30)25(31)26(23)32-33-34/h8-9,17-21,36H,4-7,10-16H2,1-3H3/t17-,18+,19+,20+,21-,27-,28+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403347
PNG
(US10329320, Compound 24)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5ccc(Cl)c(F)c5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H39ClFN3O3/c1-27(36)12-13-29(16-37-3)17(14-27)4-5-18-19-6-7-21(28(19,2)11-10-20(18)29)24(35)15-34-32-23-9-8-22(30)25(31)26(23)33-34/h8-9,17-21,36H,4-7,10-16H2,1-3H3/t17-,18+,19+,20+,21-,27-,28+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403353
PNG
(US10329320, Compound 30)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5cccc(OC)c5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H43N3O4/c1-28(35)14-15-30(18-36-3)19(16-28)8-9-20-21-10-11-23(29(21,2)13-12-22(20)30)25(34)17-33-31-24-6-5-7-26(37-4)27(24)32-33/h5-7,19-23,35H,8-18H2,1-4H3/t19-,20+,21+,22+,23-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403369
PNG
(US10329320, Compound 51)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5c(F)c(Cl)ccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H39ClFN3O3/c1-27(36)12-13-29(16-37-3)17(14-27)4-5-18-19-6-7-21(28(19,2)11-10-20(18)29)24(35)15-34-23-9-8-22(30)25(31)26(23)32-33-34/h8-9,17-21,36H,4-7,10-16H2,1-3H3/t17-,18-,19-,20-,21+,27+,28-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403342
PNG
(US10329320, Compound 19)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc5ccccc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H42N2O3/c1-28(34)14-15-30(19-35-3)21(16-28)8-9-22-23-10-11-25(29(23,2)13-12-24(22)30)27(33)18-32-17-20-6-4-5-7-26(20)31-32/h4-7,17,21-25,34H,8-16,18-19H2,1-3H3/t21-,22+,23+,24+,25-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403350
PNG
(US10329320, Compound 27)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5ccc(OC)cc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H43N3O4/c1-28(35)13-14-30(18-36-3)19(16-28)5-7-21-22-8-9-24(29(22,2)12-11-23(21)30)27(34)17-33-31-25-10-6-20(37-4)15-26(25)32-33/h6,10,15,19,21-24,35H,5,7-9,11-14,16-18H2,1-4H3/t19-,21+,22+,23+,24-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403381
PNG
(US10329320, Compound 69)
Show SMILES CC(C)OC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5ccc(F)c(F)c45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H43F2N3O3/c1-18(2)39-17-31-14-13-29(3,38)15-19(31)5-6-20-21-7-8-23(30(21,4)12-11-22(20)31)26(37)16-36-28-25(34-35-36)10-9-24(32)27(28)33/h9-10,18-23,38H,5-8,11-17H2,1-4H3/t19-,20+,21+,22+,23-,29-,30+,31-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403384
PNG
(US10329320, Compound 72)
Show SMILES CC(C)OC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncnn4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H42N4O3/c1-17(2)33-15-26-12-11-24(3,32)13-18(26)5-6-19-20-7-8-22(25(20,4)10-9-21(19)26)23(31)14-30-28-16-27-29-30/h16-22,32H,5-15H2,1-4H3/t18-,19+,20+,21+,22-,24-,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403377
PNG
(US10329320, Compound 65)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(cn4)[N+]([O-])=O)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H39N3O5/c1-24(31)10-11-26(16-34-3)17(12-24)4-5-19-20-6-7-22(25(20,2)9-8-21(19)26)23(30)15-28-14-18(13-27-28)29(32)33/h13-14,17,19-22,31H,4-12,15-16H2,1-3H3/t17-,19+,20+,21+,22-,24-,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403380
PNG
(US10329320, Compound 68)
Show SMILES CC(C)OC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5c(F)c(F)ccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H43F2N3O3/c1-18(2)39-17-31-14-13-29(3,38)15-19(31)5-6-20-21-7-8-23(30(21,4)12-11-22(20)31)26(37)16-36-25-10-9-24(32)27(33)28(25)34-35-36/h9-10,18-23,38H,5-8,11-17H2,1-4H3/t19-,20+,21+,22+,23-,29-,30+,31-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403328
PNG
(US10329320, Compound 1 | US10329320, Compound 2)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5ccc(Cl)cc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H40ClN3O3/c1-27(35)12-13-29(17-36-3)18(15-27)4-6-20-21-7-8-23(28(21,2)11-10-22(20)29)26(34)16-33-31-24-9-5-19(30)14-25(24)32-33/h5,9,14,18,20-23,35H,4,6-8,10-13,15-17H2,1-3H3/t18-,20+,21+,22+,23-,27-,28+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403338
PNG
(US10329320, Compound 15)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc5ccc(F)cc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H41FN2O3/c1-28(35)12-13-30(18-36-3)20(15-28)5-7-22-23-8-9-25(29(23,2)11-10-24(22)30)27(34)17-33-26-14-21(31)6-4-19(26)16-32-33/h4,6,14,16,20,22-25,35H,5,7-13,15,17-18H2,1-3H3/t20-,22+,23+,24+,25-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403339
PNG
(US10329320, Compound 16)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc5cc(F)ccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H41FN2O3/c1-28(35)12-13-30(18-36-3)20(15-28)4-6-22-23-7-8-25(29(23,2)11-10-24(22)30)27(34)17-33-26-9-5-21(31)14-19(26)16-32-33/h5,9,14,16,20,22-25,35H,4,6-8,10-13,15,17-18H2,1-3H3/t20-,22+,23+,24+,25-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403349
PNG
(US10329320, Compound 26)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5cc(OC)ccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H43N3O4/c1-28(35)13-14-30(18-36-3)19(16-28)5-7-21-22-8-9-24(29(22,2)12-11-23(21)30)27(34)17-33-26-10-6-20(37-4)15-25(26)31-32-33/h6,10,15,19,21-24,35H,5,7-9,11-14,16-18H2,1-4H3/t19-,21+,22+,23+,24-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403328
PNG
(US10329320, Compound 1 | US10329320, Compound 2)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5ccc(Cl)cc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H40ClN3O3/c1-27(35)12-13-29(17-36-3)18(15-27)4-6-20-21-7-8-23(28(21,2)11-10-22(20)29)26(34)16-33-31-24-9-5-19(30)14-25(24)32-33/h5,9,14,18,20-23,35H,4,6-8,10-13,15-17H2,1-3H3/t18-,20+,21+,22+,23-,27-,28+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403333
PNG
(US10329320, Compound 10)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5cc(F)cc(F)c5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H39F2N3O3/c1-27(36)10-11-29(16-37-3)17(14-27)4-5-19-20-6-7-22(28(20,2)9-8-21(19)29)25(35)15-34-32-24-13-18(30)12-23(31)26(24)33-34/h12-13,17,19-22,36H,4-11,14-16H2,1-3H3/t17-,19-,20-,21-,22+,27+,28-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403335
PNG
(US10329320, Compound 12)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5cc(Cl)cnc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C28H39ClN4O3/c1-26(35)10-11-28(16-36-3)17(13-26)4-5-19-20-6-7-22(27(20,2)9-8-21(19)28)24(34)15-33-25-23(31-32-33)12-18(29)14-30-25/h12,14,17,19-22,35H,4-11,13,15-16H2,1-3H3/t17-,19-,20-,21-,22+,26+,27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403337
PNG
(US10329320, Compound 14)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc5ccc(F)cc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H41FN2O3/c1-28(35)12-13-30(18-36-3)20(15-28)5-7-22-23-8-9-25(29(23,2)11-10-24(22)30)27(34)17-33-16-19-4-6-21(31)14-26(19)32-33/h4,6,14,16,20,22-25,35H,5,7-13,15,17-18H2,1-3H3/t20-,22+,23+,24+,25-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403382
PNG
(US10329320, Compound 70)
Show SMILES CC(C)OC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nc5ccc(F)c(F)c5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H43F2N3O3/c1-18(2)39-17-31-14-13-29(3,38)15-19(31)5-6-20-21-7-8-23(30(21,4)12-11-22(20)31)26(37)16-36-34-25-10-9-24(32)27(33)28(25)35-36/h9-10,18-23,38H,5-8,11-17H2,1-4H3/t19-,20+,21+,22+,23-,29-,30+,31-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403352
PNG
(US10329320, Compound 29)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc5cccc(OC)c45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H43N3O4/c1-28(35)14-15-30(18-36-3)19(16-28)8-9-20-21-10-11-23(29(21,2)13-12-22(20)30)25(34)17-33-27-24(31-32-33)6-5-7-26(27)37-4/h5-7,19-23,35H,8-18H2,1-4H3/t19-,20+,21+,22+,23-,28-,29+,30-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403361
PNG
(US10329320, Compound 42 | US10329320, Compound 48)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc5ccc(OC)cc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H44N2O4/c1-29(35)13-14-31(19-36-3)21(16-29)6-8-23-24-9-10-26(30(24,2)12-11-25(23)31)28(34)18-33-17-20-5-7-22(37-4)15-27(20)32-33/h5,7,15,17,21,23-26,35H,6,8-14,16,18-19H2,1-4H3/t21-,23-,24-,25-,26+,29+,30-,31+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403366
PNG
(US10329320, Compound 47)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc5cccnc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H41N3O3/c1-27(34)12-13-29(18-35-3)20(15-27)6-7-21-22-8-9-24(28(22,2)11-10-23(21)29)25(33)17-32-26-19(16-31-32)5-4-14-30-26/h4-5,14,16,20-24,34H,6-13,15,17-18H2,1-3H3/t20-,21-,22-,23-,24+,27+,28-,29+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403370
PNG
(US10329320, Compound 52)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cnc(F)c4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H39FN2O3/c1-24(31)10-11-26(15-32-3)17(12-24)4-5-18-19-6-7-21(25(19,2)9-8-20(18)26)22(30)13-29-14-23(27)28-16-29/h14,16-21,31H,4-13,15H2,1-3H3/t17-,18+,19+,20+,21-,24-,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403359
PNG
(US10329320, Compound 40 | US10329320, Compound 44)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc5c(OC)cccc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H44N2O4/c1-29(35)14-15-31(19-36-3)20(16-29)8-9-21-23-10-11-25(30(23,2)13-12-24(21)31)27(34)18-33-17-22-26(32-33)6-5-7-28(22)37-4/h5-7,17,20-21,23-25,35H,8-16,18-19H2,1-4H3/t20-,21-,23-,24-,25+,29+,30-,31+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403383
PNG
(US10329320, Compound 71)
Show SMILES CC(C)OC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cnnn4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H42N4O3/c1-17(2)33-15-26-12-11-24(3,32)13-18(26)5-6-19-20-7-8-22(25(20,4)10-9-21(19)26)23(31)14-30-16-27-28-29-30/h16-22,32H,5-15H2,1-4H3/t18-,19+,20+,21+,22-,24-,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403374
PNG
(US10329320, Compound 62)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnc(C)n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C25H40N4O3/c1-16-26-28-29(27-16)14-22(30)21-8-7-19-18-6-5-17-13-23(2,31)11-12-25(17,15-32-4)20(18)9-10-24(19,21)3/h17-21,31H,5-15H2,1-4H3/t17-,18+,19+,20+,21-,23-,24+,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403378
PNG
(US10329320, Compound 66)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(N)cn4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H41N3O3/c1-24(31)10-11-26(16-32-3)17(12-24)4-5-19-20-6-7-22(25(20,2)9-8-21(19)26)23(30)15-29-14-18(27)13-28-29/h13-14,17,19-22,31H,4-12,15-16,27H2,1-3H3/t17-,19+,20+,21+,22-,24-,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403385
PNG
(US10329320, Compound 73)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CCC(C(O)Cn4nnc(C)n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C25H42N4O3/c1-16-26-28-29(27-16)14-22(30)21-8-7-19-18-6-5-17-13-23(2,31)11-12-25(17,15-32-4)20(18)9-10-24(19,21)3/h17-22,30-31H,5-15H2,1-4H3/t17-,18+,19+,20+,21?,22?,23-,24+,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403379
PNG
(US10329320, Compound 67)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(cn4)C(F)(F)F)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C27H39F3N2O3/c1-24(34)10-11-26(16-35-3)17(12-24)4-5-19-20-6-7-22(25(20,2)9-8-21(19)26)23(33)15-32-14-18(13-31-32)27(28,29)30/h13-14,17,19-22,34H,4-12,15-16H2,1-3H3/t17-,19+,20+,21+,22-,24-,25+,26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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GoogleScholar
PC cid
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UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403344
PNG
(US10329320, Compound 21 | US10329320, Compound 34)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(SC)cn4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C27H42N2O3S/c1-25(31)11-12-27(17-32-3)18(13-25)5-6-20-21-7-8-23(26(21,2)10-9-22(20)27)24(30)16-29-15-19(33-4)14-28-29/h14-15,18,20-23,31H,5-13,16-17H2,1-4H3/t18-,20+,21+,22+,23-,25-,26+,27-/m1/s1
PDB
MMDB

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UniProtKB/TrEMBL

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PC cid
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UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403365
PNG
(US10329320, Compound 46)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc5ccncc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H41N3O3/c1-27(34)11-12-29(18-35-3)20(14-27)4-5-21-22-6-7-24(28(22,2)10-8-23(21)29)26(33)17-32-16-19-9-13-30-15-25(19)31-32/h9,13,15-16,20-24,34H,4-8,10-12,14,17-18H2,1-3H3/t20-,21-,22-,23-,24+,27+,28-,29+/m0/s1
PDB
MMDB

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UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403340
PNG
(US10329320, Compound 17)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc5cc(F)ccc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C30H41FN2O3/c1-28(35)12-13-30(18-36-3)20(15-28)4-6-22-23-7-8-25(29(23,2)11-10-24(22)30)27(34)17-33-16-19-14-21(31)5-9-26(19)32-33/h5,9,14,16,20,22-25,35H,4,6-8,10-13,15,17-18H2,1-3H3/t20-,22+,23+,24+,25-,28-,29+,30-/m1/s1
PDB
MMDB

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UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403362
PNG
(US10329320, Compound 43)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc5cc(OC)ccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H44N2O4/c1-29(35)13-14-31(19-36-3)21(16-29)5-7-23-24-8-9-26(30(24,2)12-11-25(23)31)28(34)18-33-27-10-6-22(37-4)15-20(27)17-32-33/h6,10,15,17,21,23-26,35H,5,7-9,11-14,16,18-19H2,1-4H3/t21-,23-,24-,25-,26+,29+,30-,31+/m0/s1
PDB
MMDB

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PC cid
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UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403359
PNG
(US10329320, Compound 40 | US10329320, Compound 44)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc5c(OC)cccc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H44N2O4/c1-29(35)14-15-31(19-36-3)20(16-29)8-9-21-23-10-11-25(30(23,2)13-12-24(21)31)27(34)18-33-17-22-26(32-33)6-5-7-28(22)37-4/h5-7,17,20-21,23-25,35H,8-16,18-19H2,1-4H3/t20-,21-,23-,24-,25+,29+,30-,31+/m0/s1
PDB
MMDB

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GoogleScholar
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UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403361
PNG
(US10329320, Compound 42 | US10329320, Compound 48)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc5ccc(OC)cc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H44N2O4/c1-29(35)13-14-31(19-36-3)21(16-29)6-8-23-24-9-10-26(30(24,2)12-11-25(23)31)28(34)18-33-17-20-5-7-22(37-4)15-27(20)32-33/h5,7,15,17,21,23-26,35H,6,8-14,16,18-19H2,1-4H3/t21-,23-,24-,25-,26+,29+,30-,31+/m0/s1
PDB
MMDB

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UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403364
PNG
(US10329320, Compound 45)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc5c(OC)cccc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H44N2O4/c1-29(35)14-15-31(19-36-3)20(16-29)8-9-21-23-10-11-25(30(23,2)13-12-24(21)31)27(34)18-33-26-6-5-7-28(37-4)22(26)17-32-33/h5-7,17,20-21,23-25,35H,8-16,18-19H2,1-4H3/t20-,21-,23-,24-,25+,29+,30-,31+/m0/s1
PDB
MMDB

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UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403360
PNG
(US10329320, Compound 41)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc5cccc(OC)c45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H44N2O4/c1-29(35)14-15-31(19-36-3)21(16-29)8-9-22-23-10-11-25(30(23,2)13-12-24(22)31)26(34)18-33-28-20(17-32-33)6-5-7-27(28)37-4/h5-7,17,21-25,35H,8-16,18-19H2,1-4H3/t21-,22-,23-,24-,25+,29+,30-,31+/m0/s1
PDB
MMDB

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PC sid
UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403358
PNG
(US10329320, Compound 38)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(OC(C)C)cn4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H46N2O4/c1-19(2)35-21-15-30-31(16-21)17-26(32)25-9-8-23-22-7-6-20-14-27(3,33)12-13-29(20,18-34-5)24(22)10-11-28(23,25)4/h15-16,19-20,22-25,33H,6-14,17-18H2,1-5H3/t20-,22-,23-,24-,25+,27+,28-,29+/m0/s1
PDB
MMDB

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UniProtKB/TrEMBL

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GoogleScholar
PC cid
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UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403368
PNG
(US10329320, Compound 49)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc5ccc(OC)cc45)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C31H44N2O4/c1-29(35)13-14-31(19-36-3)21(16-29)6-8-23-24-9-10-26(30(24,2)12-11-25(23)31)28(34)18-33-27-15-22(37-4)7-5-20(27)17-32-33/h5,7,15,17,21,23-26,35H,6,8-14,16,18-19H2,1-4H3/t21-,23-,24-,25-,26+,29+,30-,31+/m0/s1
PDB
MMDB

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PC cid
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UniChem
US Patent
n/an/a 75n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403386
PNG
(US10329320, Compound 74)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CCC(C(=O)Cn4nnnc4C)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C25H40N4O3/c1-16-26-27-28-29(16)14-22(30)21-8-7-19-18-6-5-17-13-23(2,31)11-12-25(17,15-32-4)20(18)9-10-24(19,21)3/h17-21,31H,5-15H2,1-4H3/t17-,18+,19+,20+,21?,23-,24+,25-/m1/s1
PDB
MMDB

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GoogleScholar
PC cid
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UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403345
PNG
(US10329320, Compound 22 | US10329320, Compound 35)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(cn4)S(C)=O)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C27H42N2O4S/c1-25(31)11-12-27(17-33-3)18(13-25)5-6-20-21-7-8-23(26(21,2)10-9-22(20)27)24(30)16-29-15-19(14-28-29)34(4)32/h14-15,18,20-23,31H,5-13,16-17H2,1-4H3/t18-,20+,21+,22+,23-,25-,26+,27-,34?/m1/s1
PDB
MMDB

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UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403388
PNG
(US10329320, Compound 80)
Show SMILES CCOC(=O)c1cn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(COC)[C@H]4CC[C@]23C)nn1
Show InChI InChI=1S/C28H43N3O5/c1-5-36-25(33)23-15-31(30-29-23)16-24(32)22-9-8-20-19-7-6-18-14-26(2,34)12-13-28(18,17-35-4)21(19)10-11-27(20,22)3/h15,18-22,34H,5-14,16-17H2,1-4H3/t18-,19-,20-,21-,22+,26+,27-,28+/m0/s1
PDB
MMDB

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UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403387
PNG
(US10329320, Compound 75)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc5cc(F)ncc5n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C29H40FN3O3/c1-27(35)10-11-29(17-36-3)19(13-27)4-5-20-21-6-7-23(28(21,2)9-8-22(20)29)25(34)16-33-15-18-12-26(30)31-14-24(18)32-33/h12,14-15,19-23,35H,4-11,13,16-17H2,1-3H3/t19-,20-,21-,22-,23+,27+,28-,29+/m0/s1
PDB
MMDB

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UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403357
PNG
(US10329320, Compound 37)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(OC)cn4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C27H42N2O4/c1-25(31)11-12-27(17-32-3)18(13-25)5-6-20-21-7-8-23(26(21,2)10-9-22(20)27)24(30)16-29-15-19(33-4)14-28-29/h14-15,18,20-23,31H,5-13,16-17H2,1-4H3/t18-,20-,21-,22-,23+,25+,26-,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403391
PNG
(US10329320, Compound 83)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc(n4)C(N)=O)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H40N4O4/c1-24(33)10-11-26(15-34-3)16(12-24)4-5-17-18-6-7-20(25(18,2)9-8-19(17)26)22(31)14-30-28-13-21(29-30)23(27)32/h13,16-20,33H,4-12,14-15H2,1-3H3,(H2,27,32)/t16-,17-,18-,19-,20+,24+,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403376
PNG
(US10329320, Compound 64)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ccnc4C)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C27H42N2O3/c1-18-28-13-14-29(18)16-24(30)23-8-7-21-20-6-5-19-15-25(2,31)11-12-27(19,17-32-4)22(20)9-10-26(21,23)3/h13-14,19-23,31H,5-12,15-17H2,1-4H3/t19-,20+,21+,22+,23-,25-,26+,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403371
PNG
(US10329320, Compound 59)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cnc(F)c4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H39FN2O3/c1-24(31)10-11-26(15-32-3)17(12-24)4-5-18-19-6-7-21(25(19,2)9-8-20(18)26)22(30)13-29-14-23(27)28-16-29/h14,16-21,31H,4-13,15H2,1-3H3/t17-,18-,19-,20-,21+,24+,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403356
PNG
(US10329320, Compound 36)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ccnc4C#N)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C27H39N3O3/c1-25(32)10-11-27(17-33-3)18(14-25)4-5-19-20-6-7-22(26(20,2)9-8-21(19)27)23(31)16-30-13-12-29-24(30)15-28/h12-13,18-22,32H,4-11,14,16-17H2,1-3H3/t18-,19-,20-,21-,22+,25+,26-,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403375
PNG
(US10329320, Compound 63)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4nnnc4C)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C25H40N4O3/c1-16-26-27-28-29(16)14-22(30)21-8-7-19-18-6-5-17-13-23(2,31)11-12-25(17,15-32-4)20(18)9-10-24(19,21)3/h17-21,31H,5-15H2,1-4H3/t17-,18+,19+,20+,21-,23-,24+,25-/m1/s1
PDB
MMDB

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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403372
PNG
(US10329320, Compound 60)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(C)cn4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C27H42N2O3/c1-18-14-28-29(15-18)16-24(30)23-8-7-21-20-6-5-19-13-25(2,31)11-12-27(19,17-32-4)22(20)9-10-26(21,23)3/h14-15,19-23,31H,5-13,16-17H2,1-4H3/t19-,20-,21-,22-,23+,25+,26-,27+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403392
PNG
(US10329320, Compound 84)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(nn4)C(N)=O)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H40N4O4/c1-24(33)10-11-26(15-34-3)16(12-24)4-5-17-18-6-7-20(25(18,2)9-8-19(17)26)22(31)14-30-13-21(23(27)32)28-29-30/h13,16-20,33H,4-12,14-15H2,1-3H3,(H2,27,32)/t16-,17-,18-,19-,20+,24+,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403373
PNG
(US10329320, Compound 61)
Show SMILES CCOc1cnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(COC)[C@H]4CC[C@]23C)c1
Show InChI InChI=1S/C28H44N2O4/c1-5-34-20-15-29-30(16-20)17-25(31)24-9-8-22-21-7-6-19-14-26(2,32)12-13-28(19,18-33-4)23(21)10-11-27(22,24)3/h15-16,19,21-24,32H,5-14,17-18H2,1-4H3/t19-,21-,22-,23-,24+,26+,27-,28+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403390
PNG
(US10329320, Compound 82)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(nn4)C(O)=O)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H39N3O5/c1-24(33)10-11-26(15-34-3)16(12-24)4-5-17-18-6-7-20(25(18,2)9-8-19(17)26)22(30)14-29-13-21(23(31)32)27-28-29/h13,16-20,33H,4-12,14-15H2,1-3H3,(H,31,32)/t16-,17-,18-,19-,20+,24+,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>500n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403393
PNG
(US10329320, Compound 85)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc(CO)n4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H41N3O4/c1-24(32)10-11-26(16-33-3)17(12-24)4-5-19-20-6-7-22(25(20,2)9-8-21(19)26)23(31)14-29-27-13-18(15-30)28-29/h13,17,19-22,30,32H,4-12,14-16H2,1-3H3/t17-,19-,20-,21-,22+,24+,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>500n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403389
PNG
(US10329320, Compound 81)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4ncc(n4)C(O)=O)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C26H39N3O5/c1-24(33)10-11-26(15-34-3)16(12-24)4-5-17-18-6-7-20(25(18,2)9-8-19(17)26)22(30)14-29-27-13-21(28-29)23(31)32/h13,16-20,33H,4-12,14-15H2,1-3H3,(H,31,32)/t16-,17-,18-,19-,20+,24+,25-,26+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>500n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

More data for this
Ligand-Target Pair
gamma-Aminobutyric Acid Type B Receptor Subunit 1


(Rattus norvegicus (rat))
BDBM403345
PNG
(US10329320, Compound 22 | US10329320, Compound 35)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)Cn4cc(cn4)S(C)=O)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C27H42N2O4S/c1-25(31)11-12-27(17-33-3)18(13-25)5-6-20-21-7-8-23(26(21,2)10-9-22(20)27)24(30)16-29-15-19(14-28-29)34(4)32/h14-15,18,20-23,31H,5-13,16-17H2,1-4H3/t18-,20+,21+,22+,23-,25-,26+,27-,34?/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>500n/an/an/an/an/an/a



Sage Therapeutics, Inc.

US Patent


Assay Description
TBPS binding assays using rat brain cortical membranes in the presence of 5 μM GABA has been described (Gee et al, J. Pharmacol. Exp. Ther. 1987...


US Patent US10329320 (2019)

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