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Compile Data Set for Download or QSAR

Found 89 hits of ki for UniProtKB: P14867   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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


(Homo sapiens (Human))
BDBM50599948
PNG
(PHENAZEPAM)
Show SMILES Clc1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12 |t:8|
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0.0500n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479287
PNG
(CHEMBL487686)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O
Show InChI InChI=1S/C20H20N2O2/c1-2-3-6-19(23)17-13-22-18-8-7-14(11-16(18)20(17)24)10-15-5-4-9-21-12-15/h4-5,7-9,11-13H,2-3,6,10H2,1H3,(H,22,24)
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0.120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479296
PNG
(CHEMBL488283)
Show SMILES CCCC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C20H19NO2/c1-2-6-19(22)17-13-21-18-10-9-15(12-16(18)20(17)23)11-14-7-4-3-5-8-14/h3-5,7-10,12-13H,2,6,11H2,1H3,(H,21,23)
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0.120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479291
PNG
(CHEMBL469477)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C21H21NO2/c1-2-3-9-20(23)18-14-22-19-11-10-16(13-17(19)21(18)24)12-15-7-5-4-6-8-15/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,22,24)
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0.120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479299
PNG
(CHEMBL487687)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccccn3)cc2c1=O
Show InChI InChI=1S/C20H20N2O2/c1-2-3-7-19(23)17-13-22-18-9-8-14(12-16(18)20(17)24)11-15-6-4-5-10-21-15/h4-6,8-10,12-13H,2-3,7,11H2,1H3,(H,22,24)
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0.140n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50048831
PNG
(CHEMBL50763 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)
Show SMILES Fc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19FN6O3/c21-13-2-1-3-14-17(13)26(20(28)25-6-8-29-9-7-25)10-15-16(22-11-27(14)15)18-23-19(30-24-18)12-4-5-12/h1-3,11-12H,4-10H2
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0.170n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50048825
PNG
(CHEMBL48403 | [7-Chloro-3-(5-cyclopropyl-[1,2,4]ox...)
Show SMILES Clc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19ClN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2
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0.220n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50599949
PNG
(CHEMBL3274851)
Show SMILES Fc1ccccc1C1=NCC(=O)Nc2ccc(Br)cc12 |t:8|
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0.260n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185292
PNG
(6-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic A...)
Show SMILES CCOC(=O)c1cnc2ccc(Cc3ccccc3)cc2c1O
Show InChI InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
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0.270n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185292
PNG
(6-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic A...)
Show SMILES CCOC(=O)c1cnc2ccc(Cc3ccccc3)cc2c1O
Show InChI InChI=1S/C19H17NO3/c1-2-23-19(22)16-12-20-17-9-8-14(11-15(17)18(16)21)10-13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,20,21)
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0.270n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50040729
PNG
(CHEMBL49888 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)
Show SMILES O=C(N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1)c1ccccc1
Show InChI InChI=1S/C22H17N5O2/c28-22(15-6-2-1-3-7-15)26-12-18-19(20-24-21(29-25-20)14-10-11-14)23-13-27(18)17-9-5-4-8-16(17)26/h1-9,13-14H,10-12H2
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0.300n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50048828
PNG
(CHEMBL290036 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-...)
Show SMILES Fc1ccc-2c(c1)N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H19FN6O3/c21-13-3-4-14-15(9-13)26(20(28)25-5-7-29-8-6-25)10-16-17(22-11-27(14)16)18-23-19(30-24-18)12-1-2-12/h3-4,9,11-12H,1-2,5-8,10H2
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0.300n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479285
PNG
(CHEMBL471551)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(CC)cc2c1=O
Show InChI InChI=1S/C16H19NO2/c1-3-5-6-15(18)13-10-17-14-8-7-11(4-2)9-12(14)16(13)19/h7-10H,3-6H2,1-2H3,(H,17,19)
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0.380n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479295
PNG
(CHEMBL487685)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccncc3)cc2c1=O
Show InChI InChI=1S/C20H20N2O2/c1-2-3-4-19(23)17-13-22-18-6-5-15(12-16(18)20(17)24)11-14-7-9-21-10-8-14/h5-10,12-13H,2-4,11H2,1H3,(H,22,24)
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0.390n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50432382
PNG
(CHEMBL2348441)
Show SMILES [O-][n+]1nc2c(I)cnn2c2cc(NCc3cccnc3)ccc12
Show InChI InChI=1S/C15H11IN6O/c16-12-9-19-21-14-6-11(18-8-10-2-1-5-17-7-10)3-4-13(14)22(23)20-15(12)21/h1-7,9,18H,8H2
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0.450n/an/an/an/an/an/an/an/a



Sintesi e Studio di Eterocicli Biologicamente attivi (HeteroBioLab) Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant GABA-A alpha1beta2gamma2 receptor benzodiazepine binding site (unknown origin) after 1 hr


Bioorg Med Chem 21: 2186-98 (2013)


Article DOI: 10.1016/j.bmc.2013.02.027
BindingDB Entry DOI: 10.7270/Q2KD208C
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50599953
PNG
(CHEMBL1451229)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Br)ccc3-n12 |t:6|
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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479293
PNG
(CHEMBL520411)
Show SMILES O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C23H23NO2/c25-22(14-17-8-4-5-9-17)20-15-24-21-11-10-18(13-19(21)23(20)26)12-16-6-2-1-3-7-16/h1-3,6-7,10-11,13,15,17H,4-5,8-9,12,14H2,(H,24,26)
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0.510n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479290
PNG
(CHEMBL488284)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(CCc3ccccc3)cc2c1=O
Show InChI InChI=1S/C22H23NO2/c1-2-3-9-21(24)19-15-23-20-13-12-17(14-18(20)22(19)25)11-10-16-7-5-4-6-8-16/h4-8,12-15H,2-3,9-11H2,1H3,(H,23,25)
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0.530n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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0.800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479294
PNG
(CHEMBL487688)
Show SMILES O=C(CC1CCCC1)c1c[nH]c2ccc(Cc3cccnc3)cc2c1=O
Show InChI InChI=1S/C22H22N2O2/c25-21(12-15-4-1-2-5-15)19-14-24-20-8-7-16(11-18(20)22(19)26)10-17-6-3-9-23-13-17/h3,6-9,11,13-15H,1-2,4-5,10,12H2,(H,24,26)
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0.880n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479292
PNG
(CHEMBL470283)
Show SMILES CCCCC(=O)c1c[nH]c2ccccc2c1=O
Show InChI InChI=1S/C14H15NO2/c1-2-3-8-13(16)11-9-15-12-7-5-4-6-10(12)14(11)17/h4-7,9H,2-3,8H2,1H3,(H,15,17)
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0.970n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50599946
PNG
(CHEMBL5170217)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1Cl)C#C |c:9|
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1.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50048855
PNG
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)
Show SMILES CN(C)C(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1
Show InChI InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM25878
PNG
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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2.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479288
PNG
(CHEMBL488286)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(Cc3ccc4ccccc4c3)cc2c1=O
Show InChI InChI=1S/C25H23NO2/c1-2-3-8-24(27)22-16-26-23-12-10-18(15-21(23)25(22)28)13-17-9-11-19-6-4-5-7-20(19)14-17/h4-7,9-12,14-16H,2-3,8,13H2,1H3,(H,26,28)
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2.70n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50040722
PNG
(1-[3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imid...)
Show SMILES CC(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1
Show InChI InChI=1S/C17H15N5O2/c1-10(23)21-8-14-15(16-19-17(24-20-16)11-6-7-11)18-9-22(14)13-5-3-2-4-12(13)21/h2-5,9,11H,6-8H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50599952
PNG
(CHEMBL3246832)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Br)ccc3-n12 |t:6|
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2.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479289
PNG
(CHEMBL488285)
Show SMILES CCCCC(=O)c1c[nH]c2ccc(CCCc3ccccc3)cc2c1=O
Show InChI InChI=1S/C23H25NO2/c1-2-3-12-22(25)20-16-24-21-14-13-18(15-19(21)23(20)26)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,13-16H,2-3,7,10-12H2,1H3,(H,24,26)
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3.20n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM26267
PNG
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-) cell membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50599956
PNG
(CHEMBL475204)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(ccc3-n12)C#C |t:6|
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3.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50048837
PNG
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-5-isopropy...)
Show SMILES CC(C)n1c2ccccc2n2cnc(-c3noc(n3)C3CC3)c2c1=O
Show InChI InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(15(22)18(23)24)16-20-17(25-21-16)11-7-8-11/h3-6,9-11H,7-8H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50049737
PNG
(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C=C)ccc-21
Show InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3
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3.80n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-) cell membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM25878
PNG
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...


Bioorg Med Chem Lett 10: 1381-4 (2000)


BindingDB Entry DOI: 10.7270/Q2KD1X5T
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50599947
PNG
(CHEMBL5192472)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)C#C |c:9|
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3.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50185296
PNG
(6-ethyl-3-(3-methylbutoxycarbonyl)-4-quinolone | C...)
Show SMILES CCc1ccc2ncc(C(=O)OCCC(C)C)c(O)c2c1
Show InChI InChI=1S/C17H21NO3/c1-4-12-5-6-15-13(9-12)16(19)14(10-18-15)17(20)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3,(H,18,19)
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4.10n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50048827
PNG
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)
Show SMILES CCNC(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1
Show InChI InChI=1S/C18H18N6O2/c1-2-19-18(25)23-9-14-15(16-21-17(26-22-16)11-7-8-11)20-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,2,7-9H2,1H3,(H,19,25)
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4.5n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50048833
PNG
(CHEMBL48211 | [3-(5-Cyclopropyl-[1,2,4]oxadiazol-3...)
Show SMILES Cc1cccc-2c1N(Cc1c(ncn-21)-c1noc(n1)C1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H22N6O3/c1-13-3-2-4-15-18(13)26(21(28)25-7-9-29-10-8-25)11-16-17(22-12-27(15)16)19-23-20(30-24-19)14-5-6-14/h2-4,12,14H,5-11H2,1H3
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4.70n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479297
PNG
(CHEMBL506314)
Show SMILES CCc1ccc2[nH]cc(C(=O)CC3CCCC3)c(=O)c2c1
Show InChI InChI=1S/C18H21NO2/c1-2-12-7-8-16-14(9-12)18(21)15(11-19-16)17(20)10-13-5-3-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,19,21)
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5.10n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479298
PNG
(CHEMBL206540 | GNF-Pf-4421 | MMV007116)
Show SMILES CCOC(=O)c1cnc2ccc(CC)cc2c1O
Show InChI InChI=1S/C14H15NO3/c1-3-9-5-6-12-10(7-9)13(16)11(8-15-12)14(17)18-4-2/h5-8H,3-4H2,1-2H3,(H,15,16)
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5.90n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50599957
PNG
(CHEMBL5179977)
Show SMILES Cc1nnc2CN=C(c3ccccc3F)c3cc(ccc3-n12)C#C |t:6|
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6.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50034839
PNG
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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6.80n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha1beta2gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50089761
PNG
((R)-1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3/t18-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...


Bioorg Med Chem Lett 10: 1381-4 (2000)


BindingDB Entry DOI: 10.7270/Q2KD1X5T
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50599954
PNG
(CHEMBL3246831)
Show SMILES Cc1nnc2CN=C(c3ccccn3)c3cc(Br)ccc3-n12 |t:6|
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7.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50083911
PNG
(7-Bromo-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4...)
Show SMILES CN1c2ccc(Br)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13BrN2O/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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9.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128637
BindingDB Entry DOI: 10.7270/Q24B35B0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50049740
PNG
(5-Methyl-6-oxo-8-prop-1-ynyl-5,6-dihydro-4H-2,5,10...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#CC
Show InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3
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10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-) cell membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50044947
PNG
(8-Bromo-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Br)cc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
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11n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-) cell membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50479286
PNG
(CHEMBL487867)
Show SMILES CCCCC(=O)c1cc(=O)c2CCCCc2[nH]1
Show InChI InChI=1S/C14H19NO2/c1-2-3-8-13(16)12-9-14(17)10-6-4-5-7-11(10)15-12/h9H,2-8H2,1H3,(H,15,17)
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11n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma-2S receptor expressed in HEK293 cells


Bioorg Med Chem 16: 6936-48 (2008)


Article DOI: 10.1016/j.bmc.2008.05.049
BindingDB Entry DOI: 10.7270/Q26T0QGQ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
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



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...


Bioorg Med Chem Lett 10: 1381-4 (2000)


BindingDB Entry DOI: 10.7270/Q2KD1X5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
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



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells


J Med Chem 49: 2526-33 (2006)


Article DOI: 10.1021/jm058057p
BindingDB Entry DOI: 10.7270/Q2KH0MZ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
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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13n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Flunitrazepam from GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in Sf9 cells


J Med Chem 39: 158-75 (1996)


Article DOI: 10.1021/jm940765f
BindingDB Entry DOI: 10.7270/Q2PZ57WX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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