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Compile Data Set for Download or QSAR

Found 686 hits with Last Name = 'tsou' and Initial = 'nn'   
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-5/beta-3/gamma-2 subunit


(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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1n/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 (alpha5-beta3-gamma2) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112233
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3
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3.40n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112224
PNG
(3-(4-Fluoro-phenyl)-1-methyl-5-(4-methyl-thiazol-2...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccc(F)cc2)c(-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112218
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1cccnc1
Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3
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3.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(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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4n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112232
PNG
(5-(4-Methoxy-phenyl)-1-methyl-3-(4-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccnnc1
Show InChI InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3
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4.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112218
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1cccnc1
Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3
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5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(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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5.70n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112220
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-thiazol-2-yl-1H-[2...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nccs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3
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6.20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112232
PNG
(5-(4-Methoxy-phenyl)-1-methyl-3-(4-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccnnc1
Show InChI InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3
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6.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112237
PNG
(1'-Methyl-5'-(4-methyl-thiazol-2-yl)-1'H-[4,2';3',...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c(-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3
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6.70n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112224
PNG
(3-(4-Fluoro-phenyl)-1-methyl-5-(4-methyl-thiazol-2...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccc(F)cc2)c(-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3
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8n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(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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8.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112233
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3
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8.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112223
PNG
(5-(4-Cyclopropyl-thiazol-2-yl)-3-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112219
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-3-yl-1H-[...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3
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12n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112218
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1cccnc1
Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3
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12.8n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112224
PNG
(3-(4-Fluoro-phenyl)-1-methyl-5-(4-methyl-thiazol-2...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccc(F)cc2)c(-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3
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13n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112231
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3
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15n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112232
PNG
(5-(4-Methoxy-phenyl)-1-methyl-3-(4-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccnnc1
Show InChI InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3
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17n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112233
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3
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17n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112237
PNG
(1'-Methyl-5'-(4-methyl-thiazol-2-yl)-1'H-[4,2';3',...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c(-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3
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20n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112231
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3
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23n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112221
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiophen...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cc(C)cs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3
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23n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112234
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-phenyl-1H-[2,4']bi...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccccc2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H20N2O2/c1-26-23(19-12-14-25-15-13-19)21(18-8-10-20(28-2)11-9-18)16-22(24(26)27)17-6-4-3-5-7-17/h3-16H,1-2H3
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24n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112223
PNG
(5-(4-Cyclopropyl-thiazol-2-yl)-3-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112237
PNG
(1'-Methyl-5'-(4-methyl-thiazol-2-yl)-1'H-[4,2';3',...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c(-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3
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24n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112228
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(3-methyl-[1,2,4]t...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)ns2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C21H18N4O2S/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3
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25n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112231
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3
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30n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112223
PNG
(5-(4-Cyclopropyl-thiazol-2-yl)-3-(4-methoxy-phenyl...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3
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31n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112220
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-thiazol-2-yl-1H-[2...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nccs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3
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37n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112221
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiophen...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cc(C)cs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3
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38n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112219
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-3-yl-1H-[...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3
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39n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112221
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiophen...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cc(C)cs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C23H20N2O2S/c1-15-12-21(28-14-15)20-13-19(16-4-6-18(27-3)7-5-16)22(25(2)23(20)26)17-8-10-24-11-9-17/h4-14H,1-3H3
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41n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112228
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(3-methyl-[1,2,4]t...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)ns2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C21H18N4O2S/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3
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42n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112220
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-thiazol-2-yl-1H-[2...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nccs2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3
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45n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112219
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-3-yl-1H-[...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3
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51n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112238
PNG
(5-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cc(-c2noc(n2)C2CC2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3
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60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112235
PNG
(3-(4-Methoxy-phenyl)-1-methyl-6-oxo-1,6-dihydro-[2...)
Show SMILES COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cccnc2)n(C)c1=O
Show InChI InChI=1S/C20H18N2O4/c1-22-18(14-5-4-10-21-12-14)16(11-17(19(22)23)20(24)26-3)13-6-8-15(25-2)9-7-13/h4-12H,1-3H3
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73n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112235
PNG
(3-(4-Methoxy-phenyl)-1-methyl-6-oxo-1,6-dihydro-[2...)
Show SMILES COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cccnc2)n(C)c1=O
Show InChI InChI=1S/C20H18N2O4/c1-22-18(14-5-4-10-21-12-14)16(11-17(19(22)23)20(24)26-3)13-6-8-15(25-2)9-7-13/h4-12H,1-3H3
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76n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112236
PNG
(3-(4-Methoxy-phenyl)-1-methyl-6-oxo-1,6-dihydro-[2...)
Show SMILES COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C20H18N2O4/c1-22-18(14-8-10-21-11-9-14)16(12-17(19(22)23)20(24)26-3)13-4-6-15(25-2)7-5-13/h4-12H,1-3H3
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79n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112234
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-phenyl-1H-[2,4']bi...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccccc2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H20N2O2/c1-26-23(19-12-14-25-15-13-19)21(18-8-10-20(28-2)11-9-18)16-22(24(26)27)17-6-4-3-5-7-17/h3-16H,1-2H3
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83n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112228
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(3-methyl-[1,2,4]t...)
Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)ns2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C21H18N4O2S/c1-13-23-20(28-24-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3
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90n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112234
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-phenyl-1H-[2,4']bi...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccccc2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C24H20N2O2/c1-26-23(19-12-14-25-15-13-19)21(18-8-10-20(28-2)11-9-18)16-22(24(26)27)17-6-4-3-5-7-17/h3-16H,1-2H3
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130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112229
PNG
(5-(4-Methoxy-phenyl)-1-methyl-2-oxo-6-phenyl-1,2-d...)
Show SMILES COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccccc2)n(C)c1=O
Show InChI InChI=1S/C21H19NO4/c1-22-19(15-7-5-4-6-8-15)17(13-18(20(22)23)21(24)26-3)14-9-11-16(25-2)12-10-14/h4-13H,1-3H3
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210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112238
PNG
(5-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-3-(4-metho...)
Show SMILES COc1ccc(cc1)-c1cc(-c2noc(n2)C2CC2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C23H20N4O3/c1-27-20(15-9-11-24-12-10-15)18(14-5-7-17(29-2)8-6-14)13-19(23(27)28)21-25-22(30-26-21)16-3-4-16/h5-13,16H,3-4H2,1-2H3
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240n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112225
PNG
(6-(4-Dimethylamino-phenyl)-5-(4-methoxy-phenyl)-1-...)
Show SMILES COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(cc2)N(C)C)n(C)c1=O
Show InChI InChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3
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250n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112239
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(5-methyl-thiazol-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ncc(C)s2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C22H19N3O2S/c1-14-13-24-21(28-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3
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250n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112216
PNG
(3-(4-Methoxy-phenyl)-1-methyl-5-(5-methyl-[1,2,4]o...)
Show SMILES COc1ccc(cc1)-c1cc(-c2noc(C)n2)c(=O)n(C)c1-c1ccncc1
Show InChI InChI=1S/C21H18N4O3/c1-13-23-20(24-28-13)18-12-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-10-22-11-9-15/h4-12H,1-3H3
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260n/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) stably expressed in L(tk-) cells.


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50112241
PNG
(1-Methyl-2-oxo-5,6-diphenyl-1,2-dihydro-pyridine-3...)
Show SMILES COC(=O)c1cc(-c2ccccc2)c(-c2ccccc2)n(C)c1=O
Show InChI InChI=1S/C20H17NO3/c1-21-18(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-17(19(21)22)20(23)24-2/h3-13H,1-2H3
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270n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...


J Med Chem 45: 1887-900 (2002)


BindingDB Entry DOI: 10.7270/Q2KP81HZ
More data for this
Ligand-Target Pair
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