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Compile Data Set for Download or QSAR

Found 2288 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50017009
PNG
(2-Phenyl-2,3a-dihydro-pyrazolo[4,3-c]quinolin-3-on...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1
Show InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
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0.0500n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083893
PNG
(8-Bromo-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinol...)
Show SMILES Brc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,19H
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0.0600n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083912
PNG
(2-(4-Ethynyl-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccc(cc1)C#C
Show InChI InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,20H
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0.0700n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083898
PNG
(8-Ethynyl-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quin...)
Show SMILES O=c1n([nH]c2c1cnc1ccc(cc21)C#C)-c1ccccc1
Show InChI InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,20H
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0.0800n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM84956
PNG
(2-(4-Methoxy-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h2-10,19H,1H3
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0.0900n/an/an/an/an/an/an/an/a



University Clinic for Psychiatry

Curated by PDSP Ki Database




Eur J Pharmacol 304: 155-62 (1996)


Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50185339
PNG
(3-(2,6-difluorophenyl)-5-[4-fluoro-3-(3-fluoropyri...)
Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1c(F)cccc1F
Show InChI InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H
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0.100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2


J Med Chem 49: 2600-10 (2006)


Article DOI: 10.1021/jm051144x
BindingDB Entry DOI: 10.7270/Q29Z94HV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50017009
PNG
(2-Phenyl-2,3a-dihydro-pyrazolo[4,3-c]quinolin-3-on...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1
Show InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
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0.110n/an/an/an/an/an/an/an/a



University Clinic for Psychiatry

Curated by PDSP Ki Database




Eur J Pharmacol 304: 155-62 (1996)


Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM85042
PNG
(CHEMBL44613 | PW-007A)
Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3
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0.110n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
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-3/gamma-2


(Homo sapiens (Human))
BDBM50007552
PNG
(6-Methoxy-4-methoxymethyl-9H-beta-carboline-3-carb...)
Show SMILES CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c2c1COC
Show InChI InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,18H,4,9H2,1-3H3
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0.140n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity measured using LtK- cell membranes expressing GABA alpha1-beta3-gamma2 receptor


J Med Chem 41: 2537-52 (1998)


Article DOI: 10.1021/jm970460b
BindingDB Entry DOI: 10.7270/Q2QN65WP
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50007552
PNG
(6-Methoxy-4-methoxymethyl-9H-beta-carboline-3-carb...)
Show SMILES CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c2c1COC
Show InChI InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,18H,4,9H2,1-3H3
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0.140n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50333162
PNG
(2-(4-Methylphenyl)-9-[2-(3-thienyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccsc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)
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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 human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...


Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50182468
PNG
(4,6,2'-Trifluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cc(F)cc1C#N
Show InChI InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABAA alpha1 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM84993
PNG
(5,6,7,8,9,10-Hexahydro-2-(4-methoxyphenyl)cyclohep...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCCc3ncc2c1=O
Show InChI InChI=1S/C18H19N3O2/c1-23-13-9-7-12(8-10-13)21-18(22)15-11-19-16-6-4-2-3-5-14(16)17(15)20-21/h7-11,20H,2-6H2,1H3
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0.150n/an/an/an/an/an/an/an/a



University Clinic for Psychiatry

Curated by PDSP Ki Database




Eur J Pharmacol 304: 155-62 (1996)


Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50179850
PNG
(2',6-difluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidaz...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1c(F)cccc1C#N
Show InChI InChI=1S/C20H12F2N4O/c1-25-7-8-26-17(11-24-19(26)20(25)27)12-5-6-15(21)14(9-12)18-13(10-23)3-2-4-16(18)22/h2-9,11H,1H3
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0.160n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human recombinant GABA-Aalpha1 receptor plus beta3gamma2


Bioorg Med Chem Lett 16: 1582-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.027
BindingDB Entry DOI: 10.7270/Q25B022B
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-3/gamma-2


(Homo sapiens (Human))
BDBM144227
PNG
(US8952008, 4)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3
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0.180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil...


J Med Chem 62: 5773-5796 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00322
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50148325
PNG
(2-(4-Chloro-phenyl)-8-pyridin-4-ylmethyl-2,5,5a,6,...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(Cc4ccncc4)CCC3N=Cc2c1=O
Show InChI InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,25H,7,10,12-13H2
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0.180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083905
PNG
(2-(4-Bromo-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quin...)
Show SMILES Brc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
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0.180n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM144227
PNG
(US8952008, 4)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3
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0.180n/an/an/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation co...


J Med Chem 63: 3425-3446 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01312
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 [G157C]/beta-2 [26-512]/gamma-2 [40-467]


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/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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0.190 -55.5n/an/an/an/an/an/a25



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50148320
PNG
(2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50142577
PNG
(11-(4-Chloro-phenyl)-9-(4-methyl-thiazol-2-yl)-6,7...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccc(Cl)cc2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C23H18ClN3OS/c1-14-13-29-22(26-14)19-11-18(16-4-6-17(24)7-5-16)21-20-12-25-9-8-15(20)3-2-10-27(21)23(19)28/h4-9,11-13H,2-3,10H2,1H3
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0.200n/an/an/an/an/an/an/an/a



The Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement...


Bioorg Med Chem Lett 14: 1679-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.057
BindingDB Entry DOI: 10.7270/Q27D2TK7
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034822
PNG
(8-Chloro-2-(4-methoxy-phenyl)-2,5-dihydro-pyrazolo...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,20H,1H3
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0.200n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50179929
PNG
(2'-Fluoro-5'-[8-fluoro-7-(1-hydroxy-1-methyl-ethyl...)
Show SMILES CC(C)(O)c1ccn2c(cnc2c1F)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C23H17F2N3O/c1-23(2,29)18-9-10-28-20(13-27-22(28)21(18)25)14-7-8-19(24)17(11-14)16-6-4-3-5-15(16)12-26/h3-11,13,29H,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human GABA-Aalpha1 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Bioorg Med Chem Lett 16: 1518-22 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.037
BindingDB Entry DOI: 10.7270/Q2HM582K
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50459882
PNG
(CHEMBL4060185)
Show SMILES COc1ccc(cc1)-n1nc2c(c[nH]c3ccc(Cl)cc23)c1=O
Show InChI InChI=1S/C17H12ClN3O2/c1-23-12-5-3-11(4-6-12)21-17(22)14-9-19-15-7-2-10(18)8-13(15)16(14)20-21/h2-9,19H,1H3
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0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human GABAA receptor alpha1beta3gamma2 expressed in LTK cells preincubated for 30 secs measured every 15 mins at -...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
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-3/gamma-2


(Homo sapiens (Human))
BDBM50526870
PNG
(CHEMBL4303594)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1c(F)cccc1F
Show InChI InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3
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0.220n/an/an/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 expressed in Ltk cells


J Med Chem 63: 3425-3446 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01312
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034837
PNG
(8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quino...)
Show SMILES Clc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,19H
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0.230n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083903
PNG
(7-Chloro-5-furan-2-yl-1-methyl-1,3-dihydro-benzo[e...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccco1
Show InChI InChI=1S/C14H11ClN2O2/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3
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>0.230n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50182464
PNG
(2',4-difluoro-5'-[3-(trifluoromethyl)imidazo[1,2-b...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(cnn12)C(F)(F)F
Show InChI InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H
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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABAA alpha1 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM84957
PNG
(CGS 9896 | CHEMBL20042)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C16H10ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
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0.260n/an/an/an/an/an/an/an/a



University Clinic for Psychiatry

Curated by PDSP Ki Database




Eur J Pharmacol 304: 155-62 (1996)


Article DOI: 10.1016/0014-2999(96)00088-x
BindingDB Entry DOI: 10.7270/Q2HD7T6P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.260n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha1 in combination with beta-3-gamma-2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
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-3/gamma-2


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.270n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
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-3/gamma-2


(Homo sapiens (Human))
BDBM50179853
PNG
(5'-(7-ethyl-8-oxo-7,8-dihydroimidazo[1,2-a]pyrazin...)
Show SMILES CCn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C21H14F2N4O/c1-2-26-7-8-27-19(12-25-20(27)21(26)28)13-3-6-18(23)17(10-13)16-5-4-15(22)9-14(16)11-24/h3-10,12H,2H2,1H3
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0.280n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from human recombinant GABA-Aalpha1 receptor plus beta3gamma2


Bioorg Med Chem Lett 16: 1582-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.027
BindingDB Entry DOI: 10.7270/Q25B022B
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50148320
PNG
(2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.290n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha1-beta3-gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 15: 4998-5002 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.006
BindingDB Entry DOI: 10.7270/Q2W66K93
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50148330
PNG
(2-(4-Fluoro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Fc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.290n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
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))
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-3/gamma-2


(Homo sapiens (Human))
BDBM50148323
PNG
(2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,19H,2-5H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50180388
PNG
(3-(6-bromopyridin-2-yl)-7-(trifluoromethyl)imidazo...)
Show SMILES FC(F)(F)c1ccn2c(cnc2n1)-c1cccc(Br)n1
Show InChI InChI=1S/C12H6BrF3N4/c13-10-3-1-2-7(18-10)8-6-17-11-19-9(12(14,15)16)4-5-20(8)11/h1-6H
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1175-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.112
BindingDB Entry DOI: 10.7270/Q2FN15SZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50180382
PNG
(7-(trifluoromethyl)-3-(6-(trifluoromethyl)pyridin-...)
Show SMILES FC(F)(F)c1cccc(n1)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C13H6F6N4/c14-12(15,16)9-3-1-2-7(21-9)8-6-20-11-22-10(13(17,18)19)4-5-23(8)11/h1-6H
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1175-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.112
BindingDB Entry DOI: 10.7270/Q2FN15SZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Rattus norvegicus (Rat))
BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
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