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Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'newman' and Initial = 'r'   
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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182468
PNG
(4,6,2'-Trifluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cc(F)cc1C#N |(2.53,2.37,;3.87,1.59,;3.1,.25,;4.63,2.93,;5.21,.82,;5.21,-.72,;6.56,-1.49,;7.88,-.72,;9.34,-1.19,;10.25,.05,;9.35,1.3,;7.88,.82,;6.55,1.59,;9.75,-2.68,;8.67,-3.78,;9.07,-5.25,;10.56,-5.64,;10.96,-7.13,;11.65,-4.56,;11.23,-3.07,;13.13,-4.94,;13.54,-6.42,;12.46,-7.51,;15.03,-6.8,;16.11,-5.71,;17.63,-6.09,;15.69,-4.23,;14.22,-3.84,;13.82,-2.34,;13.42,-.84,)|
Show InChI InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-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 |(1.69,-5.94,;3.02,-5.17,;4.36,-5.94,;5.69,-5.17,;5.77,-3.48,;6.79,-2.34,;6.02,-1,;4.52,-1.32,;4.36,-2.86,;3.02,-3.63,;1.69,-2.86,;8.33,-2.49,;8.95,-3.91,;10.48,-4.06,;11.39,-2.82,;12.92,-2.98,;10.75,-1.41,;9.22,-1.25,;11.65,-.15,;13.18,-.32,;13.8,-1.72,;14.08,.93,;13.45,2.34,;11.91,2.5,;11.02,1.24,;9.48,1.39,;7.95,1.54,)|
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 |(1.69,-5.94,;3.02,-5.17,;4.36,-5.94,;5.69,-5.17,;5.77,-3.48,;6.79,-2.34,;6.02,-1,;4.52,-1.32,;4.36,-2.86,;3.02,-3.63,;1.69,-2.86,;8.33,-2.49,;8.95,-3.91,;10.48,-4.06,;11.39,-2.82,;12.92,-2.98,;10.75,-1.41,;9.22,-1.25,;11.65,-.15,;13.18,-.32,;13.8,-1.72,;14.08,.93,;13.45,2.34,;11.91,2.5,;11.02,1.24,;9.48,1.39,;7.95,1.54,)|
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))
BDBM50182464
PNG
(2',4-difluoro-5'-[3-(trifluoromethyl)imidazo[1,2-b...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(cnn12)C(F)(F)F
Show InChI InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H
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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179995
PNG
(3'-(7-methyl-imidazo[1,2-a]pyrimidin-3-yl)-bipheny...)
Show SMILES Cc1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179995
PNG
(3'-(7-methyl-imidazo[1,2-a]pyrimidin-3-yl)-bipheny...)
Show SMILES Cc1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-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 |(1.69,-5.94,;3.02,-5.17,;4.36,-5.94,;5.69,-5.17,;5.77,-3.48,;6.79,-2.34,;6.02,-1,;4.52,-1.32,;4.36,-2.86,;3.02,-3.63,;1.69,-2.86,;8.33,-2.49,;8.95,-3.91,;10.48,-4.06,;11.39,-2.82,;12.92,-2.98,;10.75,-1.41,;9.22,-1.25,;11.65,-.15,;13.18,-.32,;13.8,-1.72,;14.08,.93,;13.45,2.34,;11.91,2.5,;11.02,1.24,;9.48,1.39,;7.95,1.54,)|
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 |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)|
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-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 |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)|
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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0.730n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179996
PNG
(4,2'-difluoro-5'-(7-trifluoromethyl-imidazo[1,2-a]...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H
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0.730n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182464
PNG
(2',4-difluoro-5'-[3-(trifluoromethyl)imidazo[1,2-b...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(cnn12)C(F)(F)F
Show InChI InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
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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0.850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-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 |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)|
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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182468
PNG
(4,6,2'-Trifluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cc(F)cc1C#N |(2.53,2.37,;3.87,1.59,;3.1,.25,;4.63,2.93,;5.21,.82,;5.21,-.72,;6.56,-1.49,;7.88,-.72,;9.34,-1.19,;10.25,.05,;9.35,1.3,;7.88,.82,;6.55,1.59,;9.75,-2.68,;8.67,-3.78,;9.07,-5.25,;10.56,-5.64,;10.96,-7.13,;11.65,-4.56,;11.23,-3.07,;13.13,-4.94,;13.54,-6.42,;12.46,-7.51,;15.03,-6.8,;16.11,-5.71,;17.63,-6.09,;15.69,-4.23,;14.22,-3.84,;13.82,-2.34,;13.42,-.84,)|
Show InChI InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-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 |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)|
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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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha5 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182467
PNG
(3'-(3-methyl-imidazo[1,2-b][1,2,4]triazin-7-yl)bip...)
Show SMILES Cc1cnn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C19H13N5/c1-13-11-22-24-18(12-21-19(24)23-13)15-7-4-6-14(9-15)17-8-3-2-5-16(17)10-20/h2-9,11-12H,1H3
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179996
PNG
(4,2'-difluoro-5'-(7-trifluoromethyl-imidazo[1,2-a]...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182465
PNG
(4,2'-difluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)imid...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C21H15F2N5O/c1-21(2,29)19-11-26-28-18(10-25-20(28)27-19)12-3-6-17(23)16(8-12)15-5-4-14(22)7-13(15)9-24/h3-8,10-11,29H,1-2H3
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50173700
PNG
(3-Phenyl-5-(2-pyridin-4-yl-pyrimidin-4-yl)-pyridaz...)
Show SMILES c1ccc(cc1)-c1cc(cnn1)-c1ccnc(n1)-c1ccncc1
Show InChI InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H
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1.30n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
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 |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)|
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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182467
PNG
(3'-(3-methyl-imidazo[1,2-b][1,2,4]triazin-7-yl)bip...)
Show SMILES Cc1cnn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C19H13N5/c1-13-11-22-24-18(12-21-19(24)23-13)15-7-4-6-14(9-15)17-8-3-2-5-16(17)10-20/h2-9,11-12H,1H3
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50173700
PNG
(3-Phenyl-5-(2-pyridin-4-yl-pyrimidin-4-yl)-pyridaz...)
Show SMILES c1ccc(cc1)-c1cc(cnn1)-c1ccnc(n1)-c1ccncc1
Show InChI InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H
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1.60n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
More data for this
Ligand-Target Pair
GABA receptor alpha-2/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 |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)|
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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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180005
PNG
(1-(1-(3-(pyridin-3-yl)phenyl)-1H-benzo[d]imidazol-...)
Show SMILES CCO\N=C(/C)c1ccc2n(cnc2c1)-c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C22H20N4O/c1-3-27-25-16(2)17-9-10-22-21(13-17)24-15-26(22)20-8-4-6-18(12-20)19-7-5-11-23-14-19/h4-15H,3H2,1-2H3/b25-16+
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-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 |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)|
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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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABAA alpha3 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182465
PNG
(4,2'-difluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)imid...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C21H15F2N5O/c1-21(2,29)19-11-26-28-18(10-25-20(28)27-19)12-3-6-17(23)16(8-12)15-5-4-14(22)7-13(15)9-24/h3-8,10-11,29H,1-2H3
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-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))
BDBM50173700
PNG
(3-Phenyl-5-(2-pyridin-4-yl-pyrimidin-4-yl)-pyridaz...)
Show SMILES c1ccc(cc1)-c1cc(cnn1)-c1ccnc(n1)-c1ccncc1
Show InChI InChI=1S/C19H13N5/c1-2-4-14(5-3-1)18-12-16(13-22-24-18)17-8-11-21-19(23-17)15-6-9-20-10-7-15/h1-13H
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3.10n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50173674
PNG
(3-[6-(2-Fluoro-phenyl)-pyridazin-4-yl]-benzonitril...)
Show SMILES Fc1ccccc1-c1cc(cnn1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H10FN3/c18-16-7-2-1-6-15(16)17-9-14(11-20-21-17)13-5-3-4-12(8-13)10-19/h1-9,11H
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3.40n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50173681
PNG
(CHEMBL197883 | [5-(3-Bromo-phenyl)-pyridazin-3-yl]...)
Show SMILES CCNc1cc(cnn1)-c1cccc(Br)c1
Show InChI InChI=1S/C12H12BrN3/c1-2-14-12-7-10(8-15-16-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3,(H,14,16)
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3.5n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179999
PNG
(3'-(7-methyl-imidazo[1,2-a]pyridin-3-yl)-biphenyl-...)
Show SMILES Cc1ccn2c(cnc2c1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C21H15N3/c1-15-9-10-24-20(14-23-21(24)11-15)17-7-4-6-16(12-17)19-8-3-2-5-18(19)13-22/h2-12,14H,1H3
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50173681
PNG
(CHEMBL197883 | [5-(3-Bromo-phenyl)-pyridazin-3-yl]...)
Show SMILES CCNc1cc(cnn1)-c1cccc(Br)c1
Show InChI InChI=1S/C12H12BrN3/c1-2-14-12-7-10(8-15-16-12)9-4-3-5-11(13)6-9/h3-8H,2H2,1H3,(H,14,16)
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3.80n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50173695
PNG
(3-[6-(3-Fluoro-phenyl)-pyridazin-4-yl]-benzonitril...)
Show SMILES Fc1cccc(c1)-c1cc(cnn1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H10FN3/c18-16-6-2-5-14(8-16)17-9-15(11-20-21-17)13-4-1-3-12(7-13)10-19/h1-9,11H
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4n/an/an/an/an/an/a7.4n/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 binding from human recombinant Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 expressed in mouse fibroblast ...


J Med Chem 48: 6004-11 (2005)


Article DOI: 10.1021/jm050249x
BindingDB Entry DOI: 10.7270/Q26H4GZH
More data for this
Ligand-Target Pair
GABA receptor alpha-2/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



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 1235-8 (2006)


Article DOI: 10.1021/jm051200u
BindingDB Entry DOI: 10.7270/Q2H41R04
More data for this
Ligand-Target Pair
GABA receptor alpha-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
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