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Compile Data Set for Download or QSAR

Found 1442 hits with Last Name = 'street' and Initial = 'lj'   
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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185513
PNG
(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccsc1)-c1ccccc1F
Show InChI InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)9-28-19-17(12-6-7-29-10-12)15-8-22-24-18(27(15)25-19)13-4-2-3-5-14(13)20/h2-8,10-11H,9H2,1H3
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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
Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 3550-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.081
BindingDB Entry DOI: 10.7270/Q21J99CH
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185495
PNG
(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1cccs1)-c1ccccc1F
Show InChI InChI=1S/C19H14FN7OS/c1-26-16(21-11-23-26)10-28-19-17(15-7-4-8-29-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3
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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
Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 3550-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.081
BindingDB Entry DOI: 10.7270/Q21J99CH
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180003
PNG
(4,2-difluoro-5-[7-(1-hydroxy-1-methylethyl)imidazo...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccc(F)cc1C#N
Show InChI InChI=1S/C22H16F2N4O/c1-22(2,29)20-7-8-28-19(12-26-21(28)27-20)13-3-6-18(24)17(10-13)16-5-4-15(23)9-14(16)11-25/h3-10,12,29H,1-2H3
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0.100n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185506
PNG
(7-(2-fluorophenyl)-3-(furan-2-yl)-2-((2-methyl-2H-...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccco1)-c1ccccc1F
Show InChI InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(15-7-4-8-28-15)14-9-22-24-18(27(14)25-19)12-5-2-3-6-13(12)20/h2-9,11H,10H2,1H3
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0.110n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 3550-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.081
BindingDB Entry DOI: 10.7270/Q21J99CH
More data for this
Ligand-Target Pair
GABA receptor alpha-5/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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0.120n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185512
PNG
(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccncc1)-c1ccccc1F
Show InChI InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(13-6-8-22-9-7-13)16-10-24-26-19(29(16)27-20)14-4-2-3-5-15(14)21/h2-10,12H,11H2,1H3
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 3550-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.081
BindingDB Entry DOI: 10.7270/Q21J99CH
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176773
PNG
(7-tert-butyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1
Show InChI InChI=1S/C19H21N7O/c1-19(2,3)14-10-15-22-23-17(13-8-6-5-7-9-13)26(15)24-18(14)27-11-16-20-12-21-25(16)4/h5-10,12H,11H2,1-4H3
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179924
PNG
(4-(2-fluoro-5-(7-(2-hydroxypropan-2-yl)imidazo[1,2...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1C#N
Show InChI InChI=1S/C21H16FN5O/c1-21(2,28)19-6-8-27-18(12-25-20(27)26-19)13-3-4-17(22)16(9-13)15-5-7-24-11-14(15)10-23/h3-9,11-12,28H,1-2H3
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0.140n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1477-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.044
BindingDB Entry DOI: 10.7270/Q2NC60SW
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143096
PNG
(3-Phenyl-6-(pyridazin-3-ylmethoxy)-[1,2,4]triazolo...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cccnn1
Show InChI InChI=1S/C20H14N6O/c1-2-7-14(8-3-1)18-23-24-19-16-10-4-5-11-17(16)20(25-26(18)19)27-13-15-9-6-12-21-22-15/h1-12H,13H2
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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
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
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))
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-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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143104
PNG
(6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...)
Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3
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0.170n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148325
PNG
(2-(4-Chloro-phenyl)-8-pyridin-4-ylmethyl-2,5,5a,6,...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(Cc4ccncc4)CCC3N=Cc2c1=O |c:26|
Show InChI InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,25H,7,10,12-13H2
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0.180n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148320
PNG
(2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.190n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha3beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185508
PNG
(3-(2,5-difluorophenyl)-7-(2-fluorophenyl)-2-((2-me...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1cc(F)ccc1F)-c1ccccc1F |(12.48,-5.03,;10.96,-4.81,;9.89,-5.92,;8.5,-5.24,;8.72,-3.71,;10.25,-3.44,;11.02,-2.11,;10.26,-.78,;11.03,.56,;12.57,.71,;12.89,2.22,;14.24,2.99,;14.23,4.54,;12.89,5.31,;11.56,4.53,;11.56,3,;10.41,1.97,;9.07,2.73,;9.08,4.27,;7.74,5.03,;7.74,6.57,;6.41,4.26,;6.42,2.71,;7.76,1.95,;7.77,.41,;15.57,2.22,;15.57,.68,;16.9,-.09,;18.24,.68,;18.23,2.23,;16.9,2.99,;16.89,4.53,)|
Show InChI InChI=1S/C21H14F3N7O/c1-30-18(25-11-27-30)10-32-21-19(14-8-12(22)6-7-16(14)24)17-9-26-28-20(31(17)29-21)13-4-2-3-5-15(13)23/h2-9,11H,10H2,1H3
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 3550-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.081
BindingDB Entry DOI: 10.7270/Q21J99CH
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180004
PNG
(2-fluoro-5-(7-trifluoromethylimidazo[1,2-a]pyrimid...)
Show SMILES Fc1ccc(cc1-c1ccccc1C#N)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)10-25)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50142577
PNG
(11-(4-Chloro-phenyl)-9-(4-methyl-thiazol-2-yl)-6,7...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccc(Cl)cc2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C23H18ClN3OS/c1-14-13-29-22(26-14)19-11-18(16-4-6-17(24)7-5-16)21-20-12-25-9-8-15(20)3-2-10-27(21)23(19)28/h4-9,11-13H,2-3,10H2,1H3
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0.200n/an/an/an/an/an/an/an/a



The Neuroscience Research Centre

Curated by ChEMBL


Assay Description
Binding affinity at human recombinant gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 expressed in L(tk) cells by [3H]-Ro-15-1788 displacement...


Bioorg Med Chem Lett 14: 1679-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.057
BindingDB Entry DOI: 10.7270/Q27D2TK7
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.200n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180007
PNG
(3'-(7-trifluoromethyl-imidazo[1,2-a]pyrimidin-3-yl...)
Show SMILES FC(F)(F)c1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H11F3N4/c21-20(22,23)18-8-9-27-17(12-25-19(27)26-18)14-6-3-5-13(10-14)16-7-2-1-4-15(16)11-24/h1-10,12H
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0.210n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143104
PNG
(6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...)
Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3
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0.220n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha3-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
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0.230n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50182464
PNG
(2',4-difluoro-5'-[3-(trifluoromethyl)imidazo[1,2-b...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(cnn12)C(F)(F)F
Show InChI InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H
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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 49: 1235-8 (2006)


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


(Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180002
PNG
(5,2-difluoro-5-(7-trifluoromethylimidazo[1,2-a]pyr...)
Show SMILES Fc1ccc(C#N)c(c1)-c1cc(ccc1F)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H9F5N4/c21-13-3-1-12(9-26)14(8-13)15-7-11(2-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H
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0.260n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha5 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.260n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha1 in combination with beta-3-gamma-2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.270n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha1beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50185522
PNG
(7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1cccc(F)c1)-c1ccccc1F
Show InChI InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(13-5-4-6-14(22)9-13)17-10-25-27-20(30(17)28-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3
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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
Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 3550-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.081
BindingDB Entry DOI: 10.7270/Q21J99CH
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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179924
PNG
(4-(2-fluoro-5-(7-(2-hydroxypropan-2-yl)imidazo[1,2...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1C#N
Show InChI InChI=1S/C21H16FN5O/c1-21(2,28)19-6-8-27-18(12-25-20(27)26-19)13-3-4-17(22)16(9-13)15-5-7-24-11-14(15)10-23/h3-9,11-12,28H,1-2H3
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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]Ro 15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1477-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.044
BindingDB Entry DOI: 10.7270/Q2NC60SW
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148330
PNG
(2-(4-Fluoro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Fc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.290n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148320
PNG
(2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.290n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 15: 4998-5002 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.006
BindingDB Entry DOI: 10.7270/Q2W66K93
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50142567
PNG
(9-(4-Methyl-thiazol-2-yl)-11-phenyl-6,7-dihydro-5H...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccccc2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C23H19N3OS/c1-15-14-28-22(25-15)19-12-18(16-6-3-2-4-7-16)21-20-13-24-10-9-17(20)8-5-11-26(21)23(19)27/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3
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0.300n/an/an/an/an/an/an/an/a



The Neuroscience Research Centre

Curated by ChEMBL


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


Bioorg Med Chem Lett 14: 1679-82 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.057
BindingDB Entry DOI: 10.7270/Q27D2TK7
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.300n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


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


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.300n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha3 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179919
PNG
(2-(3-(4-fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-...)
Show SMILES CC(C)(O)c1ccn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1
Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)18-7-10-25-17(12-23-19(25)24-18)14-3-4-16(21)15(11-14)13-5-8-22-9-6-13/h3-12,26H,1-2H3
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1477-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.044
BindingDB Entry DOI: 10.7270/Q2NC60SW
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180382
PNG
(7-(trifluoromethyl)-3-(6-(trifluoromethyl)pyridin-...)
Show SMILES FC(F)(F)c1cccc(n1)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C13H6F6N4/c14-12(15,16)9-3-1-2-7(21-9)8-6-20-11-22-10(13(17,18)19)4-5-23(8)11/h1-6H
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1175-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.112
BindingDB Entry DOI: 10.7270/Q2FN15SZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180388
PNG
(3-(6-bromopyridin-2-yl)-7-(trifluoromethyl)imidazo...)
Show SMILES FC(F)(F)c1ccn2c(cnc2n1)-c1cccc(Br)n1
Show InChI InChI=1S/C12H6BrF3N4/c13-10-3-1-2-7(18-10)8-6-17-11-19-9(12(14,15)16)4-5-20(8)11/h1-6H
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1175-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.112
BindingDB Entry DOI: 10.7270/Q2FN15SZ
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50148323
PNG
(2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...)
Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,19H,2-5H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788


Bioorg Med Chem Lett 14: 3441-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.085
BindingDB Entry DOI: 10.7270/Q2NP23VM
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


J Med Chem 48: 7089-92 (2005)


Article DOI: 10.1021/jm058034a
BindingDB Entry DOI: 10.7270/Q2WH2PJ2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50179923
PNG
(4-(2-fluoro-5-(3-(2-hydroxypropan-2-yl)imidazo[1,2...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1C#N
Show InChI InChI=1S/C20H15FN6O/c1-20(2,28)18-11-25-27-17(10-24-19(27)26-18)12-3-4-16(21)15(7-12)14-5-6-23-9-13(14)8-22/h3-7,9-11,28H,1-2H3
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0.320n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1477-80 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.044
BindingDB Entry DOI: 10.7270/Q2NC60SW
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143105
PNG
(6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1
Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells


J Med Chem 47: 3642-57 (2004)


Article DOI: 10.1021/jm0407613
BindingDB Entry DOI: 10.7270/Q2RB7423
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143115
PNG
(3-Phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C21H15N5O/c1-2-8-15(9-3-1)19-23-24-20-17-11-4-5-12-18(17)21(25-26(19)20)27-14-16-10-6-7-13-22-16/h1-13H,14H2
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180007
PNG
(3'-(7-trifluoromethyl-imidazo[1,2-a]pyrimidin-3-yl...)
Show SMILES FC(F)(F)c1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H11F3N4/c21-20(22,23)18-8-9-27-17(12-25-19(27)26-18)14-6-3-5-13(10-14)16-7-2-1-4-15(16)11-24/h1-10,12H
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro-151788 from human recombinant GABAA alpha3 in combination with beta3gamma2 expressed in L(tk-) cells


J Med Chem 49: 35-8 (2006)


Article DOI: 10.1021/jm051065l
BindingDB Entry DOI: 10.7270/Q21R6RBC
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50180007
PNG
(3'-(7-trifluoromethyl-imidazo[1,2-a]pyrimidin-3-yl...)
Show SMILES FC(F)(F)c1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H11F3N4/c21-20(22,23)18-8-9-27-17(12-25-19(27)26-18)14-6-3-5-13(10-14)16-7-2-1-4-15(16)11-24/h1-10,12H
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2 expressed in L(tk-) cells


Bioorg Med Chem Lett 16: 1175-9 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.112
BindingDB Entry DOI: 10.7270/Q2FN15SZ
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143107
PNG
(3-Phenyl-6-(pyridin-4-ylmethoxy)-[1,2,4]triazolo[3...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C21H15N5O/c1-2-6-16(7-3-1)19-23-24-20-17-8-4-5-9-18(17)21(25-26(19)20)27-14-15-10-12-22-13-11-15/h1-13H,14H2
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0.330n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits in L(tk-) cells


J Med Chem 47: 1807-22 (2004)


Article DOI: 10.1021/jm031020p
BindingDB Entry DOI: 10.7270/Q2959H0R
More data for this
Ligand-Target Pair
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