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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'bruni' and Initial = 'f'   
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 subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50205615
PNG
(3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine...)
Show SMILES CCOc1ccc2n[n+]([O-])c3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(16(17)14-9)8(12)6-13-15/h3-6H,2H2,1H3
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2.60n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122013
PNG
(8-Chloro-5-oxy-benzo[e]pyrazolo[5,1-c][1,2,4]triaz...)
Show SMILES [O-][n+]1nc2c(cnn2c2cc(Cl)ccc12)C(=O)OCc1cccs1
Show InChI InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2
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3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 45: 5710-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0SWM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50205622
PNG
(8-ethoxy-3-iodo-benzo[e]pyrazolo[5,1-c][1,2,4]tria...)
Show SMILES CCOc1ccc2[n+]([O-])nc3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(14-16(9)17)8(12)6-13-15/h3-6H,2H2,1H3
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4.10n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50078032
PNG
(8-Chloro-3-thiophen-3-yl-benzo[e]pyrazolo[5,1-c][1...)
Show SMILES [O-][n+]1nc2c(cnn2c2cc(Cl)ccc12)-c1ccsc1
Show InChI InChI=1S/C13H7ClN4OS/c14-9-1-2-11-12(5-9)17-13(16-18(11)19)10(6-15-17)8-3-4-20-7-8/h1-7H
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4.10n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 45: 5710-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0SWM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122842
PNG
(3-Pyridin-2-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccccn1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,18H
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7n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122840
PNG
(3-(3-Bromo-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1,5...)
Show SMILES Brc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H
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10n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122843
PNG
(6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-py...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)12-3-1-2-10(6-12)13-8-22-23-15(13)21-7-14(16(23)24)11-4-5-25-9-11/h1-9,22H
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10n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
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
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11n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
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
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12n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122013
PNG
(8-Chloro-5-oxy-benzo[e]pyrazolo[5,1-c][1,2,4]triaz...)
Show SMILES [O-][n+]1nc2c(cnn2c2cc(Cl)ccc12)C(=O)OCc1cccs1
Show InChI InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2
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12n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 45: 5710-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0SWM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50205615
PNG
(3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine...)
Show SMILES CCOc1ccc2n[n+]([O-])c3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(16(17)14-9)8(12)6-13-15/h3-6H,2H2,1H3
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12.3n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha3beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50205616
PNG
(3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine...)
Show SMILES CCOc1ccc2nnc3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O/c1-2-17-7-3-4-9-10(5-7)16-11(15-14-9)8(12)6-13-16/h3-6H,2H2,1H3
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13.8n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
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
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13.9n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 45: 5710-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0SWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
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
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14n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 45: 5710-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0SWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
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
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14n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha3beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
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
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14n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
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
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15n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
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
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20n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122840
PNG
(3-(3-Bromo-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1,5...)
Show SMILES Brc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H
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22n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122841
PNG
(3-(3H-1lambda*4*-Thiophen-3-yl)-6-thiophen-3-yl-4H...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccsc1)-c1ccsc1
Show InChI InChI=1S/C14H9N3OS2/c18-14-12(10-2-4-20-8-10)5-15-13-11(6-16-17(13)14)9-1-3-19-7-9/h1-8,16H
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23n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122847
PNG
(3-Pyridin-3-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccnc1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-13(11-3-5-21-9-11)7-17-14-12(8-18-19(14)15)10-2-1-4-16-6-10/h1-9,18H
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25n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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26.7n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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26.7n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 45: 5710-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0SWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50078032
PNG
(8-Chloro-3-thiophen-3-yl-benzo[e]pyrazolo[5,1-c][1...)
Show SMILES [O-][n+]1nc2c(cnn2c2cc(Cl)ccc12)-c1ccsc1
Show InChI InChI=1S/C13H7ClN4OS/c14-9-1-2-11-12(5-9)17-13(16-18(11)19)10(6-15-17)8-3-4-20-7-8/h1-7H
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33n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 45: 5710-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0SWM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50205622
PNG
(8-ethoxy-3-iodo-benzo[e]pyrazolo[5,1-c][1,2,4]tria...)
Show SMILES CCOc1ccc2[n+]([O-])nc3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(14-16(9)17)8(12)6-13-15/h3-6H,2H2,1H3
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34n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha3beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122845
PNG
(3-(3-Methoxy-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1...)
Show SMILES COc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C17H13N3O2S/c1-22-13-4-2-3-11(7-13)14-9-19-20-16(14)18-8-15(17(20)21)12-5-6-23-10-12/h2-10,19H,1H3
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43n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122848
PNG
(3-Naphthalen-1-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccc2ccccc12)-c1ccsc1
Show InChI InChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H
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47n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122843
PNG
(6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-py...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)12-3-1-2-10(6-12)13-8-22-23-15(13)21-7-14(16(23)24)11-4-5-25-9-11/h1-9,22H
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89n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122840
PNG
(3-(3-Bromo-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1,5...)
Show SMILES Brc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H
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111n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50205616
PNG
(3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine...)
Show SMILES CCOc1ccc2nnc3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O/c1-2-17-7-3-4-9-10(5-7)16-11(15-14-9)8(12)6-13-16/h3-6H,2H2,1H3
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133n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha3beta2gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem 15: 2573-86 (2007)


Article DOI: 10.1016/j.bmc.2007.01.053
BindingDB Entry DOI: 10.7270/Q2ZP45TJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122848
PNG
(3-Naphthalen-1-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccc2ccccc12)-c1ccsc1
Show InChI InChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H
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156n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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156n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122841
PNG
(3-(3H-1lambda*4*-Thiophen-3-yl)-6-thiophen-3-yl-4H...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccsc1)-c1ccsc1
Show InChI InChI=1S/C14H9N3OS2/c18-14-12(10-2-4-20-8-10)5-15-13-11(6-16-17(13)14)9-1-3-19-7-9/h1-8,16H
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196n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122841
PNG
(3-(3H-1lambda*4*-Thiophen-3-yl)-6-thiophen-3-yl-4H...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccsc1)-c1ccsc1
Show InChI InChI=1S/C14H9N3OS2/c18-14-12(10-2-4-20-8-10)5-15-13-11(6-16-17(13)14)9-1-3-19-7-9/h1-8,16H
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200n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122843
PNG
(6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-py...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)12-3-1-2-10(6-12)13-8-22-23-15(13)21-7-14(16(23)24)11-4-5-25-9-11/h1-9,22H
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207n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122847
PNG
(3-Pyridin-3-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccnc1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-13(11-3-5-21-9-11)7-17-14-12(8-18-19(14)15)10-2-1-4-16-6-10/h1-9,18H
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210n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122841
PNG
(3-(3H-1lambda*4*-Thiophen-3-yl)-6-thiophen-3-yl-4H...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccsc1)-c1ccsc1
Show InChI InChI=1S/C14H9N3OS2/c18-14-12(10-2-4-20-8-10)5-15-13-11(6-16-17(13)14)9-1-3-19-7-9/h1-8,16H
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223n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122840
PNG
(3-(3-Bromo-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1,5...)
Show SMILES Brc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H
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291n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122847
PNG
(3-Pyridin-3-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccnc1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-13(11-3-5-21-9-11)7-17-14-12(8-18-19(14)15)10-2-1-4-16-6-10/h1-9,18H
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315n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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383n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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383n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 45: 5710-20 (2002)


BindingDB Entry DOI: 10.7270/Q2GF0SWM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122843
PNG
(6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-py...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)12-3-1-2-10(6-12)13-8-22-23-15(13)21-7-14(16(23)24)11-4-5-25-9-11/h1-9,22H
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540n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122845
PNG
(3-(3-Methoxy-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1...)
Show SMILES COc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C17H13N3O2S/c1-22-13-4-2-3-11(7-13)14-9-19-20-16(14)18-8-15(17(20)21)12-5-6-23-10-12/h2-10,19H,1H3
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737n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122842
PNG
(3-Pyridin-2-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccccn1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,18H
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740n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122845
PNG
(3-(3-Methoxy-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1...)
Show SMILES COc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C17H13N3O2S/c1-22-13-4-2-3-11(7-13)14-9-19-20-16(14)18-8-15(17(20)21)12-5-6-23-10-12/h2-10,19H,1H3
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827n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat alpha2-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122842
PNG
(3-Pyridin-2-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccccn1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h1-9,18H
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927n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50122848
PNG
(3-Naphthalen-1-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccc2ccccc12)-c1ccsc1
Show InChI InChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha2-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair