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Compile Data Set for Download or QSAR

Found 810 hits Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-1/beta-3/gamma-2 subunit'   
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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/an/an/a 4.10E+3n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


Article DOI: 10.1021/jm010903i
BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50105784
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-propionic acid...)
Show SMILES COc1cccc(OC)c1OC(=O)[C@@H](C)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3/t14-/m1/s1
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n/an/an/an/a 4.10E+3n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


Article DOI: 10.1021/jm010903i
BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50105786
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-propionic acid...)
Show SMILES COc1cccc(OC)c1OC(=O)C(C)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


Article DOI: 10.1021/jm010903i
BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50105787
PNG
((R)-2-[Bis-(2-methoxy-ethyl)-amino]-butyric acid 2...)
Show SMILES CC[C@@H](N(CCOC)CCOC)C(=O)Oc1c(OC)cc(C)cc1OC
Show InChI InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3/t15-/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


Article DOI: 10.1021/jm010903i
BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50087272
PNG
(CHEMBL34155 | P4S | Piperidine-4-sulfonic acid | P...)
Show SMILES OS(=O)(=O)C1CCNCC1
Show InChI InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)
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n/an/an/an/a 4.00E+4n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective agonist dose for human Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 expressed in Xenopus oocytes


Bioorg Med Chem Lett 11: 1573-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00184-6
BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50058046
PNG
(CHEMBL526 | PROPOFOL | propofol)
Show SMILES CC(C)c1cccc(C(C)C)c1O
Show InChI InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
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n/an/an/an/a 5.00E+4n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-mimetic action on Oocytes expressing human alpha-1-beta-3-gamma-2L GABA-A receptor subunits at >=100 uM


J Med Chem 44: 3582-91 (2001)


Article DOI: 10.1021/jm010903i
BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/an/an/a 8.00E+4n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Agonist activity on human Gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in Xenopus oocytes


Bioorg Med Chem Lett 11: 1573-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00184-6
BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50105783
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-propionic acid...)
Show SMILES COc1cccc(OC)c1OC(=O)[C@H](C)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3/t14-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


Article DOI: 10.1021/jm010903i
BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50032955
PNG
(1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid | 1,...)
Show SMILES OC(=O)C1=CCNCC1
Show InChI InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
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n/an/an/an/a 1.60E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective agonist dose for human Gamma-aminobutyric-acid A receptor alpha4-beta3-gamma2


Bioorg Med Chem Lett 11: 1573-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00184-6
BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50105785
PNG
(2-Morpholin-4-yl-propionic acid 2,6-dimethoxy-phen...)
Show SMILES COc1cccc(OC)c1OC(=O)[C@@H](C)N1CCOCC1
Show InChI InChI=1S/C15H21NO5/c1-11(16-7-9-20-10-8-16)15(17)21-14-12(18-2)5-4-6-13(14)19-3/h4-6,11H,7-10H2,1-3H3/t11-/m1/s1
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n/an/an/an/a 1.98E+5n/an/an/an/a



Organon Research

Curated by ChEMBL


Assay Description
GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...


J Med Chem 44: 3582-91 (2001)


Article DOI: 10.1021/jm010903i
BindingDB Entry DOI: 10.7270/Q2KW5GRD
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50100946
PNG
(CHEMBL290961 | Piperidine-4-selenic acid | piperid...)
Show SMILES O[Se](=O)C1CCNCC1
Show InChI InChI=1S/C5H11NO2Se/c7-9(8)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8)
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n/an/an/an/a 2.00E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective agonist dose for human Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 expressed in Xenopus oocytes


Bioorg Med Chem Lett 11: 1573-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00184-6
BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50100944
PNG
(CHEMBL291079 | Piperidin-4-yl-phosphinic acid)
Show SMILES OP(O)C1=CCNCC1
Show InChI InChI=1S/C5H10NO2P/c7-9(8)5-1-3-6-4-2-5/h1,6-8H,2-4H2
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n/an/an/an/a 2.70E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective agonist dose for human Gamma-aminobutyric-acid A receptor alpha4-beta3-gamma2


Bioorg Med Chem Lett 11: 1573-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00184-6
BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM85712
PNG
(1H-imidazol-4-ylacetic acid | CAS_645-65-8 | CHEMB...)
Show SMILES OC(=O)Cc1cnc[nH]1
Show InChI InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
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n/an/an/an/a 3.10E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective agonist dose for human Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2


Bioorg Med Chem Lett 11: 1573-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00184-6
BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50000106
PNG
(4-CARBOXYPIPERIDINE | CHEMBL279998 | Piperidine-4-...)
Show SMILES OC(=O)C1CCNCC1
Show InChI InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
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n/an/an/an/a 6.20E+5n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Effective dose for agonist activity on activity on human Gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in Xenopus oocytes


Bioorg Med Chem Lett 11: 1573-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00184-6
BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50100943
PNG
(3-Amino-propane-1-selenic acid | CHEMBL41065)
Show SMILES NCCC[Se](O)=O
Show InChI InChI=1S/C3H9NO2Se/c4-2-1-3-7(5)6/h1-4H2,(H,5,6)
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n/an/an/an/a 1.40E+6n/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Antagonistic potency against human Gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in Xenopus oocytes at 1 mM


Bioorg Med Chem Lett 11: 1573-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00184-6
BindingDB Entry DOI: 10.7270/Q24J0DDQ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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

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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM85038
PNG
(CHEMBL43948 | PZII-029)
Show SMILES COc1ccc(cc1)-n1[nH]c2c(cnc3cc(OC)ccc23)c1=O
Show InChI InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,20H,1-2H3
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0.340n/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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50083908
PNG
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
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0.350n/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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176773
PNG
(7-tert-butyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3
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0.360n/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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180379
PNG
(2-(6-(7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3...)
Show SMILES FC(F)(F)c1ccn2c(cnc2n1)-c1cccc(n1)-c1ccccc1C#N
Show InChI InChI=1S/C19H10F3N5/c20-19(21,22)17-8-9-27-16(11-24-18(27)26-17)15-7-3-6-14(25-15)13-5-2-1-4-12(13)10-23/h1-9,11H
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0.360n/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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148331
PNG
(2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...)
Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3CSCCC3N=Cc2c1=O
Show InChI InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2
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0.380n/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
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176772
PNG
(7-cyclopentyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmeth...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1
Show InChI InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3
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0.380n/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
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