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Compile Data Set for Download or QSAR

Found 692 hits with Last Name = 'isted' and Initial = 'c'   
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))
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))
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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162192
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES CCCn1ncnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.6,-4.94,;-3.14,-5.42,;-2,-4.39,;-.53,-4.86,;-.05,-6.31,;1.49,-6.33,;1.96,-4.81,;.72,-3.95,;.72,-2.41,;-.61,-1.64,;-.61,-.12,;.72,.65,;.72,2.2,;1.89,3.26,;1.22,4.62,;-.28,4.48,;-.61,2.97,;-1.95,2.19,;-3.29,2.87,;-4.6,2.19,;-4.6,.65,;-3.27,-.12,;-4.2,1.42,;-2.64,1.42,;-1.95,.65,;3.39,2.96,;3.86,1.51,;5.39,1.21,;6.38,2.36,;5.89,3.82,;4.39,4.13,)|
Show InChI InChI=1S/C23H25N7O/c1-2-12-29-18(24-14-25-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3
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0.190n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162207
PNG
(3,5-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...)
Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1 |(.42,-8.41,;.42,-6.87,;1.75,-6.1,;1.74,-4.56,;.42,-3.81,;.42,-2.27,;-.9,-1.5,;-.9,.04,;.4,.79,;.4,2.35,;1.57,3.4,;.94,4.76,;-.58,4.6,;-.9,3.11,;-2.24,2.33,;-3.59,3.03,;-2.94,1.58,;-4.52,1.58,;-3.56,.02,;-4.9,.79,;-4.9,2.33,;-2.24,.79,;3.09,3.1,;3.58,1.65,;5.09,1.35,;6.1,2.51,;5.6,3.96,;4.09,4.26,;-.9,-4.56,;-2.24,-3.81,;-.9,-6.1,)|
Show InChI InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3
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0.200n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162183
PNG
(1-benzyl-1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraaza...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1nccn1Cc1ccccc1 |(-.27,-2.33,;-1.61,-1.56,;-1.61,-.03,;-.3,.72,;-.3,2.28,;.89,3.33,;.23,4.71,;-1.28,4.55,;-1.61,3.03,;-2.94,2.26,;-4.29,2.96,;-5.6,2.26,;-5.6,.72,;-4.26,-.05,;-5.2,1.49,;-3.63,1.49,;-2.94,.72,;2.39,3.03,;3.39,4.2,;4.9,3.89,;5.4,2.43,;4.39,1.28,;2.87,1.59,;1.05,-1.56,;1.22,-.03,;2.71,.3,;3.5,-1.05,;2.46,-2.2,;2.78,-3.69,;1.64,-4.71,;.19,-4.25,;-.95,-5.3,;-.63,-6.79,;.85,-7.26,;1.97,-6.23,)|
Show InChI InChI=1S/C28H26N6O/c1-3-7-19(8-4-1)17-33-16-15-29-23(33)18-35-28-25-21-13-11-20(12-14-21)24(25)27-31-30-26(34(27)32-28)22-9-5-2-6-10-22/h1-10,15-16,20-21H,11-14,17-18H2
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0.210n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162232
PNG
(3,5-dimethyl-1H-1-pyrazolyl[6-phenyl-4,5,7,8-tetra...)
Show SMILES Cc1cc(C)n(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(5.02,-2.5,;3.48,-2.33,;2.71,-1,;1.2,-1.33,;1.2,.21,;1.05,-2.85,;-.3,-3.62,;-1.63,-2.85,;-1.63,-1.33,;-.3,-.56,;-.3,.98,;.87,2.05,;.23,3.41,;-1.3,3.26,;-1.63,1.77,;-2.96,.98,;-4.29,1.66,;-5.62,.98,;-5.62,-.56,;-4.29,-1.33,;-5.22,.21,;-3.66,.21,;-2.96,-.56,;2.39,1.77,;3.38,2.91,;4.88,2.61,;5.39,1.14,;4.37,-.01,;2.87,.3,;2.46,-3.46,)|
Show InChI InChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3
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0.260n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162184
PNG
(1-ethyl-1H-2-imidazolylmethyl 6-phenyl-4,5,7,8-tet...)
Show SMILES CCn1ccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(1.69,-5.72,;2.83,-4.7,;2.5,-3.18,;3.53,-2.04,;2.76,-.71,;1.24,-1.03,;1.1,-2.57,;-.23,-3.34,;-1.56,-2.57,;-1.56,-1.03,;-.25,-.26,;-.25,1.28,;.92,2.35,;.29,3.7,;-1.24,3.55,;-1.56,2.05,;-2.89,1.28,;-4.24,1.95,;-5.55,1.28,;-5.55,-.26,;-4.22,-1.03,;-5.17,.51,;-3.59,.51,;-2.89,-.26,;2.43,2.05,;2.92,.58,;4.44,.28,;5.44,1.44,;4.95,2.91,;3.44,3.2,)|
Show InChI InChI=1S/C23H24N6O/c1-2-28-13-12-24-18(28)14-30-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(29(22)27-23)17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3
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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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
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
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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162180
PNG
(9-(3-ethoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraaz...)
Show SMILES CCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.36,-6.04,;-3.36,-4.5,;-2,-3.74,;-.67,-4.51,;-.67,-6.04,;.66,-6.81,;2,-6.04,;1.97,-4.51,;.66,-3.75,;.66,-2.22,;-.67,-1.45,;-.67,.09,;.64,.86,;.64,2.41,;1.81,3.48,;1.18,4.83,;-.34,4.69,;-.67,3.18,;-2,2.4,;-3.36,3.09,;-2.7,1.64,;-4.29,1.64,;-3.34,.09,;-4.67,.86,;-4.67,2.4,;-2,.86,;3.33,3.17,;4.33,4.34,;5.85,4.04,;6.34,2.57,;5.34,1.42,;3.82,1.72,)|
Show InChI InChI=1S/C25H25N5O2/c1-2-31-20-9-6-14-26-19(20)15-32-25-22-17-12-10-16(11-13-17)21(22)24-28-27-23(30(24)29-25)18-7-4-3-5-8-18/h3-9,14,16-17H,2,10-13,15H2,1H3
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0.360n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143140
PNG
(3-Phenyl-6-(pyrazin-2-ylmethoxy)-[1,2,4]triazolo[3...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cnccn1
Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2
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0.360n/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))
BDBM50143136
PNG
(10-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]...)
Show SMILES Cc1cccc2c(OCc3ccccn3)nn3c(nnc3c12)-c1ccccc1
Show InChI InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3
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0.370n/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-3/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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0.370n/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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143090
PNG
(3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahyd...)
Show SMILES C(Oc1nn2c(nnc2c2CCCCc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C21H19N5O/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/h1-3,6-10,13H,4-5,11-12,14H2
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0.380n/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))
BDBM50162233
PNG
(1-methyl-1H-1,2,4-triazol-5-yl[6-phenyl-4,5,7,8-te...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.26,-4.74,;-.79,-5.21,;-.32,-6.67,;1.22,-6.68,;1.69,-5.16,;.45,-4.32,;.45,-2.78,;-.88,-2.01,;-.88,-.47,;.45,.28,;.45,1.84,;1.62,2.89,;.96,4.26,;-.55,4.12,;-.88,2.61,;-2.21,1.82,;-3.56,2.51,;-4.87,1.82,;-4.87,.28,;-3.54,-.47,;-4.47,1.07,;-2.91,1.07,;-2.21,.28,;3.11,2.59,;3.6,1.14,;5.12,.84,;6.12,2,;5.63,3.45,;4.11,3.77,)|
Show InChI InChI=1S/C21H21N7O/c1-27-16(22-12-23-27)11-29-21-18-14-9-7-13(8-10-14)17(18)20-25-24-19(28(20)26-21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3
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0.390n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50067424
PNG
((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
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0.400n/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))
BDBM50162190
PNG
(1-methyl-1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraaza...)
Show SMILES Cn1ccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(2.89,-4.89,;2.58,-3.38,;3.59,-2.24,;2.83,-.91,;1.31,-1.22,;1.17,-2.76,;-.18,-3.53,;-1.49,-2.76,;-1.49,-1.22,;-.19,-.47,;-.19,1.09,;.98,2.15,;.35,3.52,;-1.18,3.35,;-1.49,1.84,;-2.84,1.09,;-4.18,1.77,;-5.5,1.09,;-5.5,-.47,;-4.17,-1.22,;-5.11,.3,;-3.54,.3,;-2.84,-.47,;2.5,1.84,;3.51,3,;5,2.71,;5.51,1.24,;4.49,.09,;2.99,.39,)|
Show InChI InChI=1S/C22H22N6O/c1-27-12-11-23-17(27)13-29-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(28(21)26-22)16-5-3-2-4-6-16/h2-6,11-12,14-15H,7-10,13H2,1H3
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0.450n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162198
PNG
(3-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Show SMILES Cc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.24,-4.13,;-.9,-4.88,;-.88,-6.42,;.47,-7.19,;1.8,-6.38,;1.77,-4.85,;.43,-4.09,;.43,-2.57,;-.9,-1.78,;-.9,-.26,;.42,.53,;.42,2.05,;1.59,3.14,;.96,4.48,;-.58,4.33,;-.9,2.82,;-2.23,2.05,;-3.57,2.73,;-4.89,2.05,;-4.89,.53,;-3.56,-.26,;-4.5,1.28,;-2.93,1.28,;-2.23,.53,;3.1,2.82,;4.09,3.98,;5.61,3.7,;6.11,2.22,;5.09,1.07,;3.59,1.37,)|
Show InChI InChI=1S/C24H23N5O/c1-15-6-5-13-25-19(15)14-30-24-21-17-11-9-16(10-12-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-8,13,16-17H,9-12,14H2,1H3
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0.460n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143088
PNG
(3-Phenyl-6-(pyrimidin-4-ylmethoxy)-[1,2,4]triazolo...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccncn1
Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-12-15-10-11-21-13-22-15/h1-11,13H,12H2
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0.5n/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))
BDBM50162199
PNG
(9-[3-(2-methoxyethoxy)-2-pyridyloxy]-6-phenyl-4,5,...)
Show SMILES COCCOc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.43,-7.89,;-4.4,-6.35,;-3.07,-5.58,;-3.07,-4.04,;-1.72,-3.29,;-.4,-4.06,;-.4,-5.58,;.93,-6.35,;2.27,-5.58,;2.25,-4.06,;.93,-3.3,;.93,-1.77,;-.4,-1,;-.4,.54,;.92,1.3,;.92,2.85,;2.08,3.91,;1.45,5.27,;-.07,5.13,;-.4,3.62,;-1.72,2.84,;-3.07,3.54,;-2.43,2.08,;-4.01,2.08,;-3.06,.53,;-4.38,1.3,;-4.38,2.84,;-1.72,1.3,;3.6,3.61,;4.09,2.17,;5.6,1.86,;6.61,3.01,;6.12,4.47,;4.6,4.78,)|
Show InChI InChI=1S/C26H27N5O3/c1-32-14-15-33-21-8-5-13-27-20(21)16-34-26-23-18-11-9-17(10-12-18)22(23)25-29-28-24(31(25)30-26)19-6-3-2-4-7-19/h2-8,13,17-18H,9-12,14-16H2,1H3
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0.5n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/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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0.510n/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 alpha4-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))
BDBM50162173
PNG
(6-(2-fluorophenyl)-4,5,7,8-tetraazatetracyclo[9.2....)
Show SMILES Fc1ccccc1-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(2.22,.02,;3.31,1.11,;4.79,.72,;5.88,1.8,;5.47,3.29,;3.97,3.69,;2.92,2.59,;1.43,2.99,;.82,4.39,;-.7,4.24,;-1.04,2.73,;-2.36,1.96,;-3.71,2.64,;-3.06,1.21,;-4.64,1.21,;-3.69,-.35,;-5.03,.42,;-5.03,1.96,;-2.36,.42,;-1.04,-.35,;-1.04,-1.89,;.3,-2.66,;.3,-4.2,;-1.04,-4.95,;-1.04,-6.49,;.29,-7.26,;1.63,-6.49,;1.62,-4.95,;.29,.42,;.29,1.96,)|
Show InChI InChI=1S/C23H20FN5O/c24-18-7-2-1-6-17(18)21-26-27-22-19-14-8-10-15(11-9-14)20(19)23(28-29(21)22)30-13-16-5-3-4-12-25-16/h1-7,12,14-15H,8-11,13H2
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0.540n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162223
PNG
(2-[6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10...)
Show SMILES N#Cc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.45,-3.2,;-2.12,-3.97,;-.79,-4.74,;-.79,-6.28,;.54,-7.06,;1.87,-6.28,;1.87,-4.74,;.54,-3.99,;.54,-2.46,;-.79,-1.68,;-.79,-.15,;.54,.61,;.54,2.17,;1.7,3.22,;1.07,4.59,;-.46,4.43,;-.79,2.93,;-2.12,2.15,;-3.45,2.84,;-2.82,1.39,;-4.39,1.39,;-3.45,-.15,;-4.78,.61,;-4.78,2.15,;-2.12,.61,;3.22,2.92,;3.71,1.46,;5.21,1.16,;6.23,2.33,;5.73,3.78,;4.21,4.08,)|
Show InChI InChI=1S/C24H20N6O/c25-13-18-7-4-12-26-19(18)14-31-24-21-16-10-8-15(9-11-16)20(21)23-28-27-22(30(23)29-24)17-5-2-1-3-6-17/h1-7,12,15-16H,8-11,14H2
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0.540n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162256
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccncn1 |(.36,-2.71,;-.97,-1.94,;-.97,-.41,;.34,.37,;.34,1.91,;1.52,2.98,;.89,4.34,;-.65,4.2,;-.97,2.69,;-2.31,1.91,;-3.65,2.59,;-4.97,1.91,;-4.97,.37,;-3.64,-.41,;-4.58,1.15,;-3.01,1.15,;-2.31,.37,;3.02,2.68,;4.03,3.85,;5.55,3.55,;6.06,2.08,;5.03,.93,;3.52,1.23,;.36,-4.24,;-.97,-5.01,;-.97,-6.53,;.36,-7.3,;1.69,-6.53,;1.68,-5.01,)|
Show InChI InChI=1S/C22H20N6O/c1-2-4-16(5-3-1)20-25-26-21-18-14-6-8-15(9-7-14)19(18)22(27-28(20)21)29-12-17-10-11-23-13-24-17/h1-5,10-11,13-15H,6-9,12H2
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0.555n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143108
PNG
(8-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]t...)
Show SMILES Cc1ccc2c3nnc(-c4ccccc4)n3nc(OCc3ccccn3)c2c1
Show InChI InChI=1S/C22H17N5O/c1-15-10-11-18-19(13-15)22(28-14-17-9-5-6-12-23-17)26-27-20(24-25-21(18)27)16-7-3-2-4-8-16/h2-13H,14H2,1H3
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0.640n/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))
BDBM50162238
PNG
(9-(3-methoxy-2-pyridyloxy)-6-phenyl-4,5,7,8-tetraa...)
Show SMILES COc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-3.46,-4.68,;-2.12,-3.94,;-.79,-4.71,;-.79,-6.23,;.56,-7,;1.88,-6.23,;1.87,-4.71,;.56,-3.94,;.56,-2.42,;-.79,-1.64,;-.79,-.1,;.54,.67,;.54,2.21,;1.71,3.29,;1.08,4.65,;-.46,4.49,;-.79,2.98,;-2.12,2.21,;-3.46,2.89,;-2.81,1.44,;-4.4,1.44,;-3.45,-.1,;-4.79,.67,;-4.79,2.21,;-2.12,.67,;3.23,2.98,;3.72,1.54,;5.24,1.23,;6.24,2.38,;5.74,3.85,;4.22,4.15,)|
Show InChI InChI=1S/C24H23N5O2/c1-30-19-8-5-13-25-18(19)14-31-24-21-16-11-9-15(10-12-16)20(21)23-27-26-22(29(23)28-24)17-6-3-2-4-7-17/h2-8,13,15-16H,9-12,14H2,1H3
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0.650n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162179
PNG
(1-isoquinolyl 6-phenyl-4,5,7,8-tetraazatetracyclo[...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1nccc2ccccc12 |(-.09,-2.02,;-1.42,-1.25,;-1.42,.3,;-.11,1.07,;-.11,2.61,;1.08,3.69,;.44,5.04,;-1.09,4.9,;-1.42,3.38,;-2.75,2.61,;-4.11,3.3,;-3.45,1.84,;-5.04,1.84,;-4.08,.3,;-5.42,1.07,;-5.42,2.61,;-2.75,1.07,;2.58,3.38,;3.59,4.55,;5.11,4.25,;5.61,2.77,;4.59,1.63,;3.07,1.93,;-.09,-3.54,;-1.42,-4.31,;-1.42,-5.83,;-.09,-6.6,;1.25,-5.83,;2.57,-6.58,;3.89,-5.81,;3.87,-4.29,;2.56,-3.54,;1.22,-4.31,)|
Show InChI InChI=1S/C27H23N5O/c1-2-7-20(8-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)33-16-22-21-9-5-4-6-17(21)14-15-28-22/h1-9,14-15,18-19H,10-13,16H2
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0.690n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-2/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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0.700n/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 alpha2-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))
BDBM50143140
PNG
(3-Phenyl-6-(pyrazin-2-ylmethoxy)-[1,2,4]triazolo[3...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1cnccn1
Show InChI InChI=1S/C20H14N6O/c1-2-6-14(7-3-1)18-23-24-19-16-8-4-5-9-17(16)20(25-26(18)19)27-13-15-12-21-10-11-22-15/h1-12H,13H2
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0.710n/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-3/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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0.710n/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-3/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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0.710n/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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162207
PNG
(3,5-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...)
Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c(C)c1 |(.42,-8.41,;.42,-6.87,;1.75,-6.1,;1.74,-4.56,;.42,-3.81,;.42,-2.27,;-.9,-1.5,;-.9,.04,;.4,.79,;.4,2.35,;1.57,3.4,;.94,4.76,;-.58,4.6,;-.9,3.11,;-2.24,2.33,;-3.59,3.03,;-2.94,1.58,;-4.52,1.58,;-3.56,.02,;-4.9,.79,;-4.9,2.33,;-2.24,.79,;3.09,3.1,;3.58,1.65,;5.09,1.35,;6.1,2.51,;5.6,3.96,;4.09,4.26,;-.9,-4.56,;-2.24,-3.81,;-.9,-6.1,)|
Show InChI InChI=1S/C25H25N5O/c1-15-12-16(2)20(26-13-15)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3
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0.710n/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 recombinant human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143111
PNG
(3-Cyclopropyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triaz...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)C1CC1)c1ccccn1
Show InChI InChI=1S/C18H15N5O/c1-2-7-15-14(6-1)17-21-20-16(12-8-9-12)23(17)22-18(15)24-11-13-5-3-4-10-19-13/h1-7,10,12H,8-9,11H2
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0.740n/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))
BDBM50162208
PNG
(9-(3-cyclopropylmethoxy-2-pyridyloxy)-6-phenyl-4,5...)
Show SMILES C(Oc1cccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)C1CC1 |(-2.97,-4.38,;-1.62,-3.62,;-.29,-4.38,;-.29,-5.92,;1.03,-6.7,;2.36,-5.92,;2.36,-4.38,;1.03,-3.62,;1.03,-2.08,;-.29,-1.31,;-.29,.22,;1.03,.97,;1.03,2.53,;2.17,3.58,;1.57,4.93,;.03,4.79,;-.29,3.28,;-1.61,2.51,;-2.95,3.2,;-2.32,1.76,;-3.88,1.76,;-2.95,.2,;-4.28,.97,;-4.28,2.51,;-1.61,.97,;3.69,3.28,;4.69,4.44,;6.21,4.16,;6.7,2.69,;5.69,1.53,;4.17,1.83,;-4.28,-3.62,;-5.07,-2.27,;-5.83,-3.61,)|
Show InChI InChI=1S/C27H27N5O2/c1-2-5-20(6-3-1)25-29-30-26-23-18-10-12-19(13-11-18)24(23)27(31-32(25)26)34-16-21-22(7-4-14-28-21)33-15-17-8-9-17/h1-7,14,17-19H,8-13,15-16H2
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0.75n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162188
PNG
(5-methyl-1,3-thiazol-4-yl[6-phenyl-4,5,7,8-tetraaz...)
Show SMILES Cc1scnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-2.26,-4.74,;-.79,-5.23,;-.32,-6.68,;1.22,-6.68,;1.71,-5.23,;.45,-4.32,;.45,-2.76,;-.88,-2.01,;-.88,-.47,;.45,.3,;.45,1.84,;1.62,2.91,;.96,4.26,;-.55,4.12,;-.88,2.61,;-2.21,1.84,;-3.56,2.51,;-4.87,1.84,;-4.87,.3,;-3.54,-.47,;-4.47,1.07,;-2.91,1.07,;-2.21,.3,;3.11,2.59,;3.6,1.16,;5.12,.86,;6.12,2.01,;5.63,3.47,;4.11,3.77,)|
Show InChI InChI=1S/C22H21N5OS/c1-13-17(23-12-29-13)11-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)16-5-3-2-4-6-16/h2-6,12,14-15H,7-11H2,1H3
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0.770n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162183
PNG
(1-benzyl-1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraaza...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1nccn1Cc1ccccc1 |(-.27,-2.33,;-1.61,-1.56,;-1.61,-.03,;-.3,.72,;-.3,2.28,;.89,3.33,;.23,4.71,;-1.28,4.55,;-1.61,3.03,;-2.94,2.26,;-4.29,2.96,;-5.6,2.26,;-5.6,.72,;-4.26,-.05,;-5.2,1.49,;-3.63,1.49,;-2.94,.72,;2.39,3.03,;3.39,4.2,;4.9,3.89,;5.4,2.43,;4.39,1.28,;2.87,1.59,;1.05,-1.56,;1.22,-.03,;2.71,.3,;3.5,-1.05,;2.46,-2.2,;2.78,-3.69,;1.64,-4.71,;.19,-4.25,;-.95,-5.3,;-.63,-6.79,;.85,-7.26,;1.97,-6.23,)|
Show InChI InChI=1S/C28H26N6O/c1-3-7-19(8-4-1)17-33-16-15-29-23(33)18-35-28-25-21-13-11-20(12-14-21)24(25)27-31-30-26(34(27)32-28)22-9-5-2-6-10-22/h1-10,15-16,20-21H,11-14,17-18H2
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0.810n/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 recombinant human gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/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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0.820n/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 alpha4-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))
BDBM50143136
PNG
(10-Methyl-3-phenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]...)
Show SMILES Cc1cccc2c(OCc3ccccn3)nn3c(nnc3c12)-c1ccccc1
Show InChI InChI=1S/C22H17N5O/c1-15-8-7-12-18-19(15)21-25-24-20(16-9-3-2-4-10-16)27(21)26-22(18)28-14-17-11-5-6-13-23-17/h2-13H,14H2,1H3
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0.840n/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))
BDBM50162197
PNG
(3,6-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...)
Show SMILES Cc1ccc(C)c(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(3.01,-6.91,;1.66,-6.16,;.33,-6.93,;-1,-6.16,;-1,-4.62,;-2.33,-3.83,;.33,-3.87,;.33,-2.33,;-1,-1.56,;-1,-.02,;.33,.74,;.33,2.29,;1.49,3.35,;.85,4.71,;-.67,4.57,;-1,3.07,;-2.33,2.28,;-3.68,2.96,;-3.03,1.52,;-4.6,1.52,;-3.66,-.03,;-4.99,.74,;-4.99,2.28,;-2.33,.74,;3.01,3.05,;4,4.2,;5.51,3.91,;6,2.45,;5,1.28,;3.5,1.59,;1.64,-4.62,)|
Show InChI InChI=1S/C25H25N5O/c1-15-8-9-16(2)26-20(15)14-31-25-22-18-12-10-17(11-13-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-9,17-18H,10-14H2,1-2H3
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0.840n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143090
PNG
(3-Phenyl-6-(pyridin-2-ylmethoxy)-7,8,9,10-tetrahyd...)
Show SMILES C(Oc1nn2c(nnc2c2CCCCc12)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C21H19N5O/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/h1-3,6-10,13H,4-5,11-12,14H2
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0.850n/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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162222
PNG
(1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraazatetracycl...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ncc[nH]1 |TLB:2:16:11.12:15.14,THB:8:9:11.12:15.14,(.38,-2.9,;-.97,-2.13,;-.97,-.58,;.37,.18,;.37,1.73,;1.5,2.75,;.9,4.16,;-.62,4.01,;-.97,2.5,;-2.28,1.72,;-3.64,2.41,;-4.41,.86,;-2.84,.86,;-3.62,-.59,;-4.97,.18,;-4.97,1.72,;-2.28,.18,;3,2.35,;4.08,3.45,;5.55,3.06,;5.97,1.57,;4.87,.48,;3.4,.88,;.38,-4.44,;-.86,-5.35,;-.37,-6.81,;1.15,-6.81,;1.62,-5.35,)|
Show InChI InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)
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0.870n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143094
PNG
(6-(3-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...)
Show SMILES Cc1cccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H17N5O/c1-15-8-7-13-23-19(15)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3
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0.880n/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))
BDBM50162239
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1cccnn1 |(.36,-2.71,;-.97,-1.94,;-.97,-.41,;.34,.37,;.34,1.91,;1.52,2.98,;.89,4.34,;-.65,4.2,;-.97,2.69,;-2.31,1.91,;-3.65,2.59,;-3.01,1.15,;-4.58,1.15,;-3.64,-.41,;-4.97,.37,;-4.97,1.91,;-2.31,.37,;3.02,2.68,;4.03,3.85,;5.55,3.55,;6.06,2.08,;5.03,.93,;3.52,1.23,;.36,-4.24,;-.97,-5.01,;-.97,-6.53,;.36,-7.3,;1.69,-6.53,;1.68,-5.01,)|
Show InChI InChI=1S/C22H20N6O/c1-2-5-16(6-3-1)20-25-26-21-18-14-8-10-15(11-9-14)19(18)22(27-28(20)21)29-13-17-7-4-12-23-24-17/h1-7,12,14-15H,8-11,13H2
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0.880n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162221
PNG
(4-methyl-1H-2-imidazolyl[6-phenyl-4,5,7,8-tetraaza...)
Show SMILES Cc1cnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)[nH]1 |(-1.25,-7.78,;-.34,-6.53,;1.19,-6.53,;1.68,-5.07,;.43,-4.16,;.43,-2.62,;-.91,-1.85,;-.91,-.29,;.42,.46,;.42,2.01,;1.57,3.03,;.94,4.44,;-.58,4.29,;-.91,2.78,;-2.24,2,;-3.59,2.69,;-4.36,1.14,;-2.78,1.14,;-3.57,-.31,;-4.91,.46,;-4.91,2,;-2.24,.46,;3.05,2.63,;4.12,3.73,;5.61,3.33,;6.01,1.85,;4.93,.76,;3.44,1.16,;-.81,-5.07,)|
Show InChI InChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24)
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0.900n/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 recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162192
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES CCCn1ncnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(-4.6,-4.94,;-3.14,-5.42,;-2,-4.39,;-.53,-4.86,;-.05,-6.31,;1.49,-6.33,;1.96,-4.81,;.72,-3.95,;.72,-2.41,;-.61,-1.64,;-.61,-.12,;.72,.65,;.72,2.2,;1.89,3.26,;1.22,4.62,;-.28,4.48,;-.61,2.97,;-1.95,2.19,;-3.29,2.87,;-4.6,2.19,;-4.6,.65,;-3.27,-.12,;-4.2,1.42,;-2.64,1.42,;-1.95,.65,;3.39,2.96,;3.86,1.51,;5.39,1.21,;6.38,2.36,;5.89,3.82,;4.39,4.13,)|
Show InChI InChI=1S/C23H25N7O/c1-2-12-29-18(24-14-25-29)13-31-23-20-16-10-8-15(9-11-16)19(20)22-27-26-21(30(22)28-23)17-6-4-3-5-7-17/h3-7,14-16H,2,8-13H2,1H3
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0.900n/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 recombinant human gamma-aminobutyric-acid A receptor alpha1-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50143121
PNG
(3-Cyclopropyl-6-(6-methyl-pyridin-2-ylmethoxy)-[1,...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)C2CC2)n1
Show InChI InChI=1S/C19H17N5O/c1-12-5-4-6-14(20-12)11-25-19-16-8-3-2-7-15(16)18-22-21-17(13-9-10-13)24(18)23-19/h2-8,13H,9-11H2,1H3
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0.920n/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))
BDBM50143094
PNG
(6-(3-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...)
Show SMILES Cc1cccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H17N5O/c1-15-8-7-13-23-19(15)14-28-22-18-12-6-5-11-17(18)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3
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1n/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-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162261
PNG
(3,4-dimethyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazate...)
Show SMILES Cc1ccnc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)c1C |(-2.17,-6.93,;-.83,-6.16,;.51,-6.93,;1.83,-6.16,;1.83,-4.62,;.51,-3.87,;.51,-2.33,;-.83,-1.56,;-.83,-.02,;.49,.74,;.49,2.29,;1.66,3.35,;1.03,4.71,;-.49,4.57,;-.83,3.07,;-2.15,2.28,;-3.49,2.96,;-2.85,1.52,;-4.43,1.52,;-3.48,-.03,;-4.82,.74,;-4.82,2.28,;-2.15,.74,;3.17,3.05,;3.66,1.59,;5.18,1.28,;6.19,2.45,;5.69,3.91,;4.18,4.2,;-.83,-4.62,;-2.15,-3.83,)|
Show InChI InChI=1S/C25H25N5O/c1-15-12-13-26-20(16(15)2)14-31-25-22-18-10-8-17(9-11-18)21(22)24-28-27-23(30(24)29-25)19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50162184
PNG
(1-ethyl-1H-2-imidazolylmethyl 6-phenyl-4,5,7,8-tet...)
Show SMILES CCn1ccnc1COc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1 |(1.69,-5.72,;2.83,-4.7,;2.5,-3.18,;3.53,-2.04,;2.76,-.71,;1.24,-1.03,;1.1,-2.57,;-.23,-3.34,;-1.56,-2.57,;-1.56,-1.03,;-.25,-.26,;-.25,1.28,;.92,2.35,;.29,3.7,;-1.24,3.55,;-1.56,2.05,;-2.89,1.28,;-4.24,1.95,;-5.55,1.28,;-5.55,-.26,;-4.22,-1.03,;-5.17,.51,;-3.59,.51,;-2.89,-.26,;2.43,2.05,;2.92,.58,;4.44,.28,;5.44,1.44,;4.95,2.91,;3.44,3.2,)|
Show InChI InChI=1S/C23H24N6O/c1-2-28-13-12-24-18(28)14-30-23-20-16-10-8-15(9-11-16)19(20)22-26-25-21(29(22)27-23)17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3
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1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 subtype expressed in L (tk-) cells


J Med Chem 48: 1367-83 (2005)


Article DOI: 10.1021/jm040883v
BindingDB Entry DOI: 10.7270/Q2ZW1KD2
More data for this
Ligand-Target Pair
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