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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50035388   
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-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146441
PNG
(3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...)
Show SMILES CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1
Show InChI InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146433
PNG
(8-Ethylsulfanyl-3-methyl-5-thiazol-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2nccs2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146443
PNG
(3-Methyl-8-(1-methyl-1H-[1,2,4]triazol-3-ylmethyls...)
Show SMILES CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1
Show InChI InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146438
PNG
(8-Ethylsulfanyl-3-methyl-5-pyridin-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2ccccn2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146440
PNG
(8-Ethylsulfanyl-3-methyl-5-pyrazin-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2cnccn2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146441
PNG
(3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...)
Show SMILES CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1
Show InChI InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146436
PNG
(8-Ethylsulfanyl-3-methyl-5-oxazol-2-yl-3,4-dihydro...)
Show SMILES CCSc1ccc(-c2ncco2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146442
PNG
(3-Methyl-5-thiazol-2-yl-8-(3H-[1,2,3]triazol-4-ylm...)
Show SMILES CC1CC(=O)c2c(SCc3cnn[nH]3)ccc(-c3nccs3)c2C1
Show InChI InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)
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2.60n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146432
PNG
(8-(5-Methoxy-[1,2,4]thiadiazol-3-ylmethylsulfanyl)...)
Show SMILES COc1nc(CSc2ccc(-c3nccs3)c3CC(C)CC(=O)c23)ns1
Show InChI InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146441
PNG
(3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...)
Show SMILES CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1
Show InChI InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146441
PNG
(3-Methyl-5-pyridin-2-yl-8-(thiophen-2-ylsulfanyl)-...)
Show SMILES CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1
Show InChI InChI=1S/C20H17NOS2/c1-13-11-15-14(16-5-2-3-9-21-16)7-8-18(20(15)17(22)12-13)24-19-6-4-10-23-19/h2-10,13H,11-12H2,1H3
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5.40n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146433
PNG
(8-Ethylsulfanyl-3-methyl-5-thiazol-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2nccs2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3
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5.40n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146439
PNG
(3-Methyl-8-methylsulfanyl-5-pyridin-2-yl-3,4-dihyd...)
Show SMILES CSc1ccc(c2CC(C)CC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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7.5n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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10n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146440
PNG
(8-Ethylsulfanyl-3-methyl-5-pyrazin-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2cnccn2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146433
PNG
(8-Ethylsulfanyl-3-methyl-5-thiazol-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2nccs2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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13n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146438
PNG
(8-Ethylsulfanyl-3-methyl-5-pyridin-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2ccccn2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146440
PNG
(8-Ethylsulfanyl-3-methyl-5-pyrazin-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2cnccn2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146438
PNG
(8-Ethylsulfanyl-3-methyl-5-pyridin-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2ccccn2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146433
PNG
(8-Ethylsulfanyl-3-methyl-5-thiazol-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2nccs2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C16H17NOS2/c1-3-19-14-5-4-11(16-17-6-7-20-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146443
PNG
(3-Methyl-8-(1-methyl-1H-[1,2,4]triazol-3-ylmethyls...)
Show SMILES CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1
Show InChI InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146436
PNG
(8-Ethylsulfanyl-3-methyl-5-oxazol-2-yl-3,4-dihydro...)
Show SMILES CCSc1ccc(-c2ncco2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146440
PNG
(8-Ethylsulfanyl-3-methyl-5-pyrazin-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2cnccn2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C17H18N2OS/c1-3-21-16-5-4-12(14-10-18-6-7-19-14)13-8-11(2)9-15(20)17(13)16/h4-7,10-11H,3,8-9H2,1-2H3
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19n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146434
PNG
(3,3-Dimethyl-8-methylsulfanyl-5-pyridin-2-yl-3,4-d...)
Show SMILES CSc1ccc(c2CC(C)(C)CC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3
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19n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146443
PNG
(3-Methyl-8-(1-methyl-1H-[1,2,4]triazol-3-ylmethyls...)
Show SMILES CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1
Show InChI InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146438
PNG
(8-Ethylsulfanyl-3-methyl-5-pyridin-2-yl-3,4-dihydr...)
Show SMILES CCSc1ccc(-c2ccccn2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C18H19NOS/c1-3-21-17-8-7-13(15-6-4-5-9-19-15)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146435
PNG
(8-Ethylsulfanyl-3-methyl-5-(1-oxy-pyridin-2-yl)-3,...)
Show SMILES CCSc1ccc(c2CC(C)CC(=O)c12)-c1cccc[n+]1[O-]
Show InChI InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146432
PNG
(8-(5-Methoxy-[1,2,4]thiadiazol-3-ylmethylsulfanyl)...)
Show SMILES COc1nc(CSc2ccc(-c3nccs3)c3CC(C)CC(=O)c23)ns1
Show InChI InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3
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34n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146432
PNG
(8-(5-Methoxy-[1,2,4]thiadiazol-3-ylmethylsulfanyl)...)
Show SMILES COc1nc(CSc2ccc(-c3nccs3)c3CC(C)CC(=O)c23)ns1
Show InChI InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3
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35n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146442
PNG
(3-Methyl-5-thiazol-2-yl-8-(3H-[1,2,3]triazol-4-ylm...)
Show SMILES CC1CC(=O)c2c(SCc3cnn[nH]3)ccc(-c3nccs3)c2C1
Show InChI InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)
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36n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146436
PNG
(8-Ethylsulfanyl-3-methyl-5-oxazol-2-yl-3,4-dihydro...)
Show SMILES CCSc1ccc(-c2ncco2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3
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37n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146436
PNG
(8-Ethylsulfanyl-3-methyl-5-oxazol-2-yl-3,4-dihydro...)
Show SMILES CCSc1ccc(-c2ncco2)c2CC(C)CC(=O)c12
Show InChI InChI=1S/C16H17NO2S/c1-3-20-14-5-4-11(16-17-6-7-19-16)12-8-10(2)9-13(18)15(12)14/h4-7,10H,3,8-9H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146443
PNG
(3-Methyl-8-(1-methyl-1H-[1,2,4]triazol-3-ylmethyls...)
Show SMILES CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1
Show InChI InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146432
PNG
(8-(5-Methoxy-[1,2,4]thiadiazol-3-ylmethylsulfanyl)...)
Show SMILES COc1nc(CSc2ccc(-c3nccs3)c3CC(C)CC(=O)c23)ns1
Show InChI InChI=1S/C18H17N3O2S3/c1-10-7-12-11(17-19-5-6-24-17)3-4-14(16(12)13(22)8-10)25-9-15-20-18(23-2)26-21-15/h3-6,10H,7-9H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146439
PNG
(3-Methyl-8-methylsulfanyl-5-pyridin-2-yl-3,4-dihyd...)
Show SMILES CSc1ccc(c2CC(C)CC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3
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42n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146442
PNG
(3-Methyl-5-thiazol-2-yl-8-(3H-[1,2,3]triazol-4-ylm...)
Show SMILES CC1CC(=O)c2c(SCc3cnn[nH]3)ccc(-c3nccs3)c2C1
Show InChI InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)
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57n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146434
PNG
(3,3-Dimethyl-8-methylsulfanyl-5-pyridin-2-yl-3,4-d...)
Show SMILES CSc1ccc(c2CC(C)(C)CC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3
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59n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146434
PNG
(3,3-Dimethyl-8-methylsulfanyl-5-pyridin-2-yl-3,4-d...)
Show SMILES CSc1ccc(c2CC(C)(C)CC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3
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60n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146439
PNG
(3-Methyl-8-methylsulfanyl-5-pyridin-2-yl-3,4-dihyd...)
Show SMILES CSc1ccc(c2CC(C)CC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3
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63n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146439
PNG
(3-Methyl-8-methylsulfanyl-5-pyridin-2-yl-3,4-dihyd...)
Show SMILES CSc1ccc(c2CC(C)CC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H17NOS/c1-11-9-13-12(14-5-3-4-8-18-14)6-7-16(20-2)17(13)15(19)10-11/h3-8,11H,9-10H2,1-2H3
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63n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146442
PNG
(3-Methyl-5-thiazol-2-yl-8-(3H-[1,2,3]triazol-4-ylm...)
Show SMILES CC1CC(=O)c2c(SCc3cnn[nH]3)ccc(-c3nccs3)c2C1
Show InChI InChI=1S/C17H16N4OS2/c1-10-6-13-12(17-18-4-5-23-17)2-3-15(16(13)14(22)7-10)24-9-11-8-19-21-20-11/h2-5,8,10H,6-7,9H2,1H3,(H,19,20,21)
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92n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146444
PNG
(8-Ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naph...)
Show SMILES CCSc1ccc(c2CCCC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3
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103n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146434
PNG
(3,3-Dimethyl-8-methylsulfanyl-5-pyridin-2-yl-3,4-d...)
Show SMILES CSc1ccc(c2CC(C)(C)CC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C18H19NOS/c1-18(2)10-13-12(14-6-4-5-9-19-14)7-8-16(21-3)17(13)15(20)11-18/h4-9H,10-11H2,1-3H3
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229n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146435
PNG
(8-Ethylsulfanyl-3-methyl-5-(1-oxy-pyridin-2-yl)-3,...)
Show SMILES CCSc1ccc(c2CC(C)CC(=O)c12)-c1cccc[n+]1[O-]
Show InChI InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3
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271n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-2-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146435
PNG
(8-Ethylsulfanyl-3-methyl-5-(1-oxy-pyridin-2-yl)-3,...)
Show SMILES CCSc1ccc(c2CC(C)CC(=O)c12)-c1cccc[n+]1[O-]
Show InChI InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3
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286n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146435
PNG
(8-Ethylsulfanyl-3-methyl-5-(1-oxy-pyridin-2-yl)-3,...)
Show SMILES CCSc1ccc(c2CC(C)CC(=O)c12)-c1cccc[n+]1[O-]
Show InChI InChI=1S/C18H19NO2S/c1-3-22-17-8-7-13(15-6-4-5-9-19(15)21)14-10-12(2)11-16(20)18(14)17/h4-9,12H,3,10-11H2,1-2H3
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>300n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50146444
PNG
(8-Ethylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naph...)
Show SMILES CCSc1ccc(c2CCCC(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H17NOS/c1-2-20-16-10-9-12(14-7-3-4-11-18-14)13-6-5-8-15(19)17(13)16/h3-4,7,9-11H,2,5-6,8H2,1H3
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>300n/an/an/an/an/an/an/an/a



Merck

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Bioorg Med Chem Lett 14: 2871-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.054
BindingDB Entry DOI: 10.7270/Q2KW5GK5
More data for this
Ligand-Target Pair
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