Compile Data Set for Download or QSAR
Found 136 of ic50 for UniProtKB: P62813
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482687(CHEMBL426916)
Show SMILES Clc1ccc(N\C=C(/C(=O)NC2CCC2)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C20H18Cl2N2O2/c21-13-8-10-14(11-9-13)23-12-17(20(26)24-15-4-3-5-15)19(25)16-6-1-2-7-18(16)22/h1-2,6-12,15,23H,3-5H2,(H,24,26)/b17-12-
Affinity DataIC50: 7.10nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540736(US11261211, Compound SA-4)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2ncccc2n1
Show InChI InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-15-24-23(29-30)4-3-13-28-24/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3/t17-,18+,19-,20-,21+,22-,26-,27+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540735(US11261211, Compound SA-2)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2ccccc2n1
Show InChI InChI=1S/C27H37N3O2/c1-26(32)13-11-18-17(15-26)7-8-20-19(18)12-14-27(2)21(20)9-10-22(27)25(31)16-30-28-23-5-3-4-6-24(23)29-30/h3-6,17-22,32H,7-16H2,1-2H3/t17-,18+,19-,20-,21+,22-,26-,27+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540766(US11261211, Compound SA-57)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2cc(Cl)cnc2n1
Show InChI InChI=1S/C26H35ClN4O2/c1-25(33)9-7-17-15(12-25)3-4-19-18(17)8-10-26(2)20(19)5-6-21(26)23(32)14-31-29-22-11-16(27)13-28-24(22)30-31/h11,13,15,17-21,33H,3-10,12,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,25-,26+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540759(US11261211, Compound SA-39)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ccc(Cl)cc12
Show InChI InChI=1S/C27H36ClN3O2/c1-26(33)11-9-18-16(14-26)3-5-20-19(18)10-12-27(2)21(20)6-7-22(27)25(32)15-31-24-13-17(28)4-8-23(24)29-30-31/h4,8,13,16,18-22,33H,3,5-7,9-12,14-15H2,1-2H3/t16-,18+,19-,20-,21+,22-,26-,27+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540762(US11261211, Compound SA-55)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc(Cl)c2ccccc12
Show InChI InChI=1S/C28H37ClN2O2/c1-27(33)13-11-18-17(15-27)7-8-20-19(18)12-14-28(2)22(20)9-10-23(28)25(32)16-31-24-6-4-3-5-21(24)26(29)30-31/h3-6,17-20,22-23,33H,7-16H2,1-2H3/t17-,18+,19-,20-,22+,23-,27-,28+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540767(US11261211, Compound SA-58)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cc(Cl)cnc12
Show InChI InChI=1S/C26H35ClN4O2/c1-25(33)9-7-17-15(12-25)3-4-19-18(17)8-10-26(2)20(19)5-6-21(26)23(32)14-31-24-22(29-30-31)11-16(27)13-28-24/h11,13,15,17-21,33H,3-10,12,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,25-,26+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540753(US11261211, Compound SA-14)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2cccnc2n1
Show InChI InChI=1S/C26H36N4O2/c1-25(32)11-9-17-16(14-25)5-6-19-18(17)10-12-26(2)20(19)7-8-21(26)23(31)15-30-28-22-4-3-13-27-24(22)29-30/h3-4,13,16-21,32H,5-12,14-15H2,1-2H3/t16-,17+,18-,19-,20+,21-,25-,26+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540748(US11261211, Compound SA-11)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2ccncc2n1
Show InChI InChI=1S/C26H36N4O2/c1-25(32)10-7-17-16(13-25)3-4-19-18(17)8-11-26(2)20(19)5-6-21(26)24(31)15-30-28-22-9-12-27-14-23(22)29-30/h9,12,14,16-21,32H,3-8,10-11,13,15H2,1-2H3/t16-,17+,18-,19-,20+,21-,25-,26+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540754(US11261211, Compound SA-15)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cccnc12
Show InChI InChI=1S/C26H36N4O2/c1-25(32)11-9-17-16(14-25)5-6-19-18(17)10-12-26(2)20(19)7-8-21(26)23(31)15-30-24-22(28-29-30)4-3-13-27-24/h3-4,13,16-21,32H,5-12,14-15H2,1-2H3/t16-,17+,18-,19-,20+,21-,25-,26+/m1/s1
Affinity DataIC50: 10nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM50000766(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
Affinity DataIC50: 12nMAssay Description:Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECAMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM23183(5-(aminomethyl)-1,2-oxazol-3-ol | Agarin | CHEMBL2...)
Show SMILES NCc1cc(=O)[nH]o1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
Affinity DataIC50: 16nMAssay Description:Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECAMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482692(CHEMBL390326)
Show SMILES CCC(C)NC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C20H20Cl2N2O2/c1-3-13(2)24-20(26)17(12-23-15-10-8-14(21)9-11-15)19(25)16-6-4-5-7-18(16)22/h4-13,23H,3H2,1-2H3,(H,24,26)/b17-12-
Affinity DataIC50: 20nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM520647(US11147877, Compound 2)
Show SMILES COC[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H](c4ccon4)[C@@]3(C)CC[C@H]21
Show InChI InChI=1S/C24H37NO3/c1-22(26)11-12-24(15-27-3)16(14-22)4-5-17-18-6-7-20(21-9-13-28-25-21)23(18,2)10-8-19(17)24/h9,13,16-20,26H,4-8,10-12,14-15H2,1-3H3/t16-,17-,18-,19-,20+,22+,23-,24+/m0/s1
Affinity DataIC50: 20nMAssay Description:Briefly, cortices are rapidly removed following decapitation of carbon dioxide-anesthetized Sprague-Dawley rats (200-250 g). The cortices are homogen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM238234(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
Affinity DataIC50: 25nMpH: 7.4 T: 2°CAssay 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−...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM238243(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
Affinity DataIC50: 28nMpH: 7.4 T: 2°CAssay 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−...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540750(US11261211, Compound SA-20)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2ccncc2n1
Show InChI InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-15-18-9-12-28-14-24(18)29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3/t17-,19+,20-,21-,22+,23-,26-,27+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540751(US11261211, Compound SA-22)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2ccc(F)cc2n1
Show InChI InChI=1S/C28H37FN2O2/c1-27(33)11-9-20-17(14-27)4-6-22-21(20)10-12-28(2)23(22)7-8-24(28)26(32)16-31-15-18-3-5-19(29)13-25(18)30-31/h3,5,13,15,17,20-24,33H,4,6-12,14,16H2,1-2H3/t17-,20+,21-,22-,23+,24-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540752(US11261211, Compound SA-13)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ncccc12
Show InChI InChI=1S/C26H36N4O2/c1-25(32)11-9-17-16(14-25)5-6-19-18(17)10-12-26(2)20(19)7-8-21(26)23(31)15-30-22-4-3-13-27-24(22)28-29-30/h3-4,13,16-21,32H,5-12,14-15H2,1-2H3/t16-,17+,18-,19-,20+,21-,25-,26+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540749(US11261211, Compound SA-12)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cnccc12
Show InChI InChI=1S/C26H36N4O2/c1-25(32)10-7-17-16(13-25)3-4-19-18(17)8-11-26(2)20(19)5-6-21(26)24(31)15-30-23-9-12-27-14-22(23)28-29-30/h9,12,14,16-21,32H,3-8,10-11,13,15H2,1-2H3/t16-,17+,18-,19-,20+,21-,25-,26+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540747(US11261211, Compound SA-23)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C28H37FN2O2/c1-27(33)11-9-20-17(14-27)4-6-22-21(20)10-12-28(2)23(22)7-8-24(28)26(32)16-31-25-13-19(29)5-3-18(25)15-30-31/h3,5,13,15,17,20-24,33H,4,6-12,14,16H2,1-2H3/t17-,20+,21-,22-,23+,24-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540746(US11261211, Compound SA-21)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ccncc12
Show InChI InChI=1S/C27H37N3O2/c1-26(32)10-7-19-17(13-26)3-4-21-20(19)8-11-27(2)22(21)5-6-23(27)25(31)16-30-24-15-28-12-9-18(24)14-29-30/h9,12,14-15,17,19-23,32H,3-8,10-11,13,16H2,1-2H3/t17-,19+,20-,21-,22+,23-,26-,27+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540745(US11261211, Compound SA-19)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2cccnc12
Show InChI InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-25-18(15-29-30)4-3-13-28-25/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3/t17-,19+,20-,21-,22+,23-,26-,27+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540744(US11261211, Compound SA-18)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2cccnc2n1
Show InChI InChI=1S/C27H37N3O2/c1-26(32)11-9-19-17(14-26)5-6-21-20(19)10-12-27(2)22(21)7-8-23(27)24(31)16-30-15-18-4-3-13-28-25(18)29-30/h3-4,13,15,17,19-23,32H,5-12,14,16H2,1-2H3/t17-,19+,20-,21-,22+,23-,26-,27+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540743(US11261211, Compound SA-17)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2cc(F)ccc12
Show InChI InChI=1S/C28H37FN2O2/c1-27(33)11-9-20-17(14-27)3-5-22-21(20)10-12-28(2)23(22)6-7-24(28)26(32)16-31-25-8-4-19(29)13-18(25)15-30-31/h4,8,13,15,17,20-24,33H,3,5-7,9-12,14,16H2,1-2H3/t17-,20+,21-,22-,23+,24-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540742(US11261211, Compound SA-16)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2cc(F)ccc2n1
Show InChI InChI=1S/C28H37FN2O2/c1-27(33)11-9-20-17(14-27)3-5-22-21(20)10-12-28(2)23(22)6-7-24(28)26(32)16-31-15-18-13-19(29)4-8-25(18)30-31/h4,8,13,15,17,20-24,33H,3,5-7,9-12,14,16H2,1-2H3/t17-,20+,21-,22-,23+,24-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540741(US11261211, Compound SA-5)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ccccc12
Show InChI InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3/t18-,20+,21-,22-,23+,24-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540740(US11261211, Compound SA-6)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2ccccc2n1
Show InChI InChI=1S/C28H38N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h3-6,16,18,20-24,32H,7-15,17H2,1-2H3/t18-,20+,21-,22-,23+,24-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540739(US11261211, Compound SA-8)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2CCCCc12
Show InChI InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-25-6-4-3-5-19(25)16-29-30/h16,18,20-24,32H,3-15,17H2,1-2H3/t18-,20+,21-,22-,23+,24-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540738(US11261211, Compound SA-7)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1cc2CCCCc2n1
Show InChI InChI=1S/C28H42N2O2/c1-27(32)13-11-20-18(15-27)7-8-22-21(20)12-14-28(2)23(22)9-10-24(28)26(31)17-30-16-19-5-3-4-6-25(19)29-30/h16,18,20-24,32H,3-15,17H2,1-2H3/t18-,20+,21-,22-,23+,24-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540737(US11261211, Compound SA-3)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1ncc2ncccc12
Show InChI InChI=1S/C27H37N3O2/c1-26(32)11-9-18-17(14-26)5-6-20-19(18)10-12-27(2)21(20)7-8-22(27)25(31)16-30-24-4-3-13-28-23(24)15-29-30/h3-4,13,15,17-22,32H,5-12,14,16H2,1-2H3/t17-,18+,19-,20-,21+,22-,26-,27+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540734(US11261211, Compound SA-1)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C27H37N3O2/c1-26(32)13-11-18-17(15-26)7-8-20-19(18)12-14-27(2)21(20)9-10-22(27)25(31)16-30-24-6-4-3-5-23(24)28-29-30/h3-6,17-22,32H,7-16H2,1-2H3/t17-,18+,19-,20-,21+,22-,26-,27+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540799(Compound SA-51 | US11261211, Compound SA-53)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2cc(F)c(F)cc2n1
Show InChI InChI=1S/C27H35F2N3O2/c1-26(34)9-7-16-15(13-26)3-4-18-17(16)8-10-27(2)19(18)5-6-20(27)25(33)14-32-30-23-11-21(28)22(29)12-24(23)31-32/h11-12,15-20,34H,3-10,13-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,26-,27+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482694(CHEMBL229535)
Show SMILES Clc1ccc(N\C=C(/C(=O)NC2CC2)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C19H16Cl2N2O2/c20-12-5-7-13(8-6-12)22-11-16(19(25)23-14-9-10-14)18(24)15-3-1-2-4-17(15)21/h1-8,11,14,22H,9-10H2,(H,23,25)/b16-11-
Affinity DataIC50: 30nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482688(CHEMBL387958)
Show SMILES Clc1ccc(N\C=C(/C(=O)NC2CCCC2)C(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H20Cl2N2O2/c22-14-9-11-15(12-10-14)24-13-18(21(27)25-16-5-1-2-6-16)20(26)17-7-3-4-8-19(17)23/h3-4,7-13,16,24H,1-2,5-6H2,(H,25,27)/b18-13-
Affinity DataIC50: 30nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540755(US11261211, Compound SA-10 | US11261211, Compound ...)
Show SMILES Cn1c(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)nc2ccccc12
Show InChI InChI=1S/C29H40N2O2/c1-28(33)14-12-19-18(17-28)8-9-21-20(19)13-15-29(2)22(21)10-11-23(29)26(32)16-27-30-24-6-4-5-7-25(24)31(27)3/h4-7,18-23,33H,8-17H2,1-3H3/t18-,19+,20-,21-,22+,23-,28-,29+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540765(US11261211, Compound SA-56)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2ncc(Cl)cc12
Show InChI InChI=1S/C26H35ClN4O2/c1-25(33)9-7-17-15(12-25)3-4-19-18(17)8-10-26(2)20(19)5-6-21(26)23(32)14-31-22-11-16(27)13-28-24(22)29-30-31/h11,13,15,17-21,33H,3-10,12,14H2,1-2H3/t15-,17+,18-,19-,20+,21-,25-,26+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540773(US11261211, Compound SB-15)
Show SMILES CC[C@@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)Cn5nc6ccncc6n5)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C27H38N4O2/c1-3-27(33)12-9-18-17(14-27)4-5-20-19(18)8-11-26(2)21(20)6-7-22(26)25(32)16-31-29-23-10-13-28-15-24(23)30-31/h10,13,15,17-22,33H,3-9,11-12,14,16H2,1-2H3/t17-,18-,19+,20+,21-,22+,26-,27+/m0/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540776(US11261211, Compound SB-45)
Show SMILES COC[C@@]1(O)CC[C@H]2[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)Cn5cc6ccncc6n5)[C@@]4(C)CC[C@H]23)C1
Show InChI InChI=1S/C28H39N3O3/c1-27-10-7-21-20-8-11-28(33,17-34-2)13-18(20)3-4-22(21)23(27)5-6-24(27)26(32)16-31-15-19-9-12-29-14-25(19)30-31/h9,12,14-15,18,20-24,33H,3-8,10-11,13,16-17H2,1-2H3/t18-,20-,21+,22+,23-,24+,27-,28+/m0/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540755(US11261211, Compound SA-10 | US11261211, Compound ...)
Show SMILES Cn1c(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)nc2ccccc12
Show InChI InChI=1S/C29H40N2O2/c1-28(33)14-12-19-18(17-28)8-9-21-20(19)13-15-29(2)22(21)10-11-23(29)26(32)16-27-30-24-6-4-5-7-25(24)31(27)3/h4-7,18-23,33H,8-17H2,1-3H3/t18-,19+,20-,21-,22+,23-,28-,29+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540756(US11261211, Compound SA-54)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2ccccc2c1O
Show InChI InChI=1S/C28H38N2O3/c1-27(33)13-11-18-17(15-27)7-8-20-19(18)12-14-28(2)22(20)9-10-23(28)25(31)16-30-26(32)21-5-3-4-6-24(21)29-30/h3-6,17-20,22-23,32-33H,7-16H2,1-2H3/t17-,18+,19-,20-,22+,23-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540758(US11261211, Compound SA-40)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cc(Cl)ccc12
Show InChI InChI=1S/C27H36ClN3O2/c1-26(33)11-9-18-16(14-26)3-5-20-19(18)10-12-27(2)21(20)6-7-22(27)25(32)15-31-24-8-4-17(28)13-23(24)29-30-31/h4,8,13,16,18-22,33H,3,5-7,9-12,14-15H2,1-2H3/t16-,18+,19-,20-,21+,22-,26-,27+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540760(US11261211, Compound SB-49)
Show SMILES COc1ccc2nn(CC(=O)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@](C)(O)CC[C@@H]6[C@H]5CC[C@]34C)nc2c1
Show InChI InChI=1S/C28H39N3O3/c1-27(33)12-10-19-17(15-27)4-6-21-20(19)11-13-28(2)22(21)7-8-23(28)26(32)16-31-29-24-9-5-18(34-3)14-25(24)30-31/h5,9,14,17,19-23,33H,4,6-8,10-13,15-16H2,1-3H3/t17-,19+,20-,21-,22+,23-,27-,28+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540761(US11261211, Compound SB-50)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nnc2cc(F)c(F)cc12
Show InChI InChI=1S/C27H35F2N3O2/c1-26(34)9-7-16-15(13-26)3-4-18-17(16)8-10-27(2)19(18)5-6-20(27)25(33)14-32-24-12-22(29)21(28)11-23(24)30-31-32/h11-12,15-20,34H,3-10,13-14H2,1-2H3/t15-,16+,17-,18-,19+,20-,26-,27+/m1/s1
Affinity DataIC50: 30nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50215531(2-chloro-alpha-[[(4-chlorophenyl)amino]methylene]-...)
Show SMILES CC(C)NC(=O)C(C=Nc1ccc(Cl)cc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H18Cl2N2O2/c1-12(2)23-19(25)16(11-22-14-9-7-13(20)8-10-14)18(24)15-5-3-4-6-17(15)21/h3-12,16H,1-2H3,(H,23,25)
Affinity DataIC50: 40nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482691(CHEMBL556727)
Show SMILES CCCNC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H18Cl2N2O2/c1-2-11-22-19(25)16(12-23-14-9-7-13(20)8-10-14)18(24)15-5-3-4-6-17(15)21/h3-10,12,23H,2,11H2,1H3,(H,22,25)/b16-12-
Affinity DataIC50: 45nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50482690(CHEMBL229374)
Show SMILES CCNC(=O)C(=C/Nc1ccc(Cl)cc1)\C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H16Cl2N2O2/c1-2-21-18(24)15(11-22-13-9-7-12(19)8-10-13)17(23)14-5-3-4-6-16(14)20/h3-11,22H,2H2,1H3,(H,21,24)/b15-11-
Affinity DataIC50: 50nMAssay Description:Inhibition of rat GABA alpha-1-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM238245(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
Affinity DataIC50: 53nMpH: 7.4 T: 2°CAssay 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−...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Wuhan Institute of Technology

Curated by ChEMBL
LigandPNGBDBM238238(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
Affinity DataIC50: 56nMpH: 7.4 T: 2°CAssay 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−...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Sage Therapeutics, Inc.

US Patent
LigandPNGBDBM540769(US11261211, Compound SB-2)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@](C)(O)CC[C@H]34)[C@@H]1CC[C@@H]2C(=O)Cn1nc2ccccc2n1
Show InChI InChI=1S/C27H37N3O2/c1-26(32)13-11-18-17(15-26)7-8-20-19(18)12-14-27(2)21(20)9-10-22(27)25(31)16-30-28-23-5-3-4-6-24(23)29-30/h3-6,17-22,32H,7-16H2,1-2H3/t17-,18-,19+,20+,21-,22+,26+,27-/m0/s1
Affinity DataIC50: 75nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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