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PubMed code 16384707

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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))
BDBM50179848
PNG
(2'-fluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidazo[1,...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3
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0.100n/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-Aalpha5 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-5/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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0.150n/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-Aalpha5 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))
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-5/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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0.190n/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-Aalpha5 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))
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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179851
PNG
(2',4-difluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidaz...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3
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0.390n/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-Aalpha5 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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179849
PNG
(2-(3-(4-fluoro-3-(pyridin-3-yl)phenyl)imidazo[1,2-...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1cccnc1
Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3
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0.520n/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-Aalpha5 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))
BDBM50179848
PNG
(2'-fluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidazo[1,...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3
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0.530n/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-3/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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0.590n/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-Aalpha3 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))
BDBM50179855
PNG
(6,2'-Difluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-imi...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N
Show InChI InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3
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0.600n/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))
BDBM50179851
PNG
(2',4-difluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidaz...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3
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0.700n/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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179848
PNG
(2'-fluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidazo[1,...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H13FN4O/c1-24-8-9-25-18(12-23-19(25)20(24)26)13-6-7-17(21)16(10-13)15-5-3-2-4-14(15)11-22/h2-10,12H,1H3
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0.700n/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-Aalpha3 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-3/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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0.900n/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-Aalpha3 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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179855
PNG
(6,2'-Difluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-imi...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N
Show InChI InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3
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0.900n/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-Aalpha5 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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179854
PNG
(5'-(7-ethyl-8-oxo-7,8-dihydroimidazo[1,2-d][1,2,4]...)
Show SMILES CCn1ncn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C20H13F2N5O/c1-2-27-20(28)19-24-10-18(26(19)11-25-27)12-3-6-17(22)16(8-12)15-5-4-14(21)7-13(15)9-23/h3-8,10-11H,2H2,1H3
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0.950n/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-Aalpha5 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))
BDBM50179849
PNG
(2-(3-(4-fluoro-3-(pyridin-3-yl)phenyl)imidazo[1,2-...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1cccnc1
Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3
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1.40n/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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179855
PNG
(6,2'-Difluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-imi...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N
Show InChI InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3
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1.5n/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-Aalpha3 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179851
PNG
(2',4-difluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidaz...)
Show SMILES Cn1ccn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C20H12F2N4O/c1-25-6-7-26-18(11-24-19(26)20(25)27)12-2-5-17(22)16(9-12)15-4-3-14(21)8-13(15)10-23/h2-9,11H,1H3
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1.90n/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-Aalpha3 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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179852
PNG
(2',4-difluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidaz...)
Show SMILES Cn1ncn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C19H11F2N5O/c1-25-19(27)18-23-9-17(26(18)10-24-25)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3
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2.30n/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-Aalpha5 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))
BDBM50179854
PNG
(5'-(7-ethyl-8-oxo-7,8-dihydroimidazo[1,2-d][1,2,4]...)
Show SMILES CCn1ncn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C20H13F2N5O/c1-2-27-20(28)19-24-10-18(26(19)11-25-27)12-3-6-17(22)16(8-12)15-5-4-14(21)7-13(15)9-23/h3-8,10-11H,2H2,1H3
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2.40n/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))
BDBM50179847
PNG
(2',4-difluoro-5'-(3-methyl-4-oxo-3,4-dihydroimidaz...)
Show SMILES Cn1cnn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C19H11F2N5O/c1-25-10-24-26-17(9-23-18(26)19(25)27)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3
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2.5n/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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179854
PNG
(5'-(7-ethyl-8-oxo-7,8-dihydroimidazo[1,2-d][1,2,4]...)
Show SMILES CCn1ncn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C20H13F2N5O/c1-2-27-20(28)19-24-10-18(26(19)11-25-27)12-3-6-17(22)16(8-12)15-5-4-14(21)7-13(15)9-23/h3-8,10-11H,2H2,1H3
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3.40n/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-Aalpha3 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179849
PNG
(2-(3-(4-fluoro-3-(pyridin-3-yl)phenyl)imidazo[1,2-...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1cccnc1
Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)18-7-9-25-17(12-23-19(25)24-18)13-5-6-16(21)15(10-13)14-4-3-8-22-11-14/h3-12,26H,1-2H3
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4n/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-Aalpha3 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179847
PNG
(2',4-difluoro-5'-(3-methyl-4-oxo-3,4-dihydroimidaz...)
Show SMILES Cn1cnn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C19H11F2N5O/c1-25-10-24-26-17(9-23-18(26)19(25)27)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3
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4.60n/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-Aalpha3 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179852
PNG
(2',4-difluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidaz...)
Show SMILES Cn1ncn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C19H11F2N5O/c1-25-19(27)18-23-9-17(26(18)10-24-25)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3
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4.70n/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-Aalpha3 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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179847
PNG
(2',4-difluoro-5'-(3-methyl-4-oxo-3,4-dihydroimidaz...)
Show SMILES Cn1cnn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C19H11F2N5O/c1-25-10-24-26-17(9-23-18(26)19(25)27)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3
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4.80n/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-Aalpha5 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))
BDBM50179852
PNG
(2',4-difluoro-5'-(7-methyl-8-oxo-7,8-dihydroimidaz...)
Show SMILES Cn1ncn2c(cnc2c1=O)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C19H11F2N5O/c1-25-19(27)18-23-9-17(26(18)10-24-25)11-2-5-16(21)15(7-11)14-4-3-13(20)6-12(14)8-22/h2-7,9-10H,1H3
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6.5n/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
* indicates data uncertainty>20%