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Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with all data for entry = 50014946   
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))
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))
BDBM50149423
PNG
(5,6-dimethyl-2-pyridyl[6-(3-methyl-1,2,4-oxadiazol...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccc(C)c(C)n3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;2.46,-8.83,;3.79,-6.51,;5.12,-7.26,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3
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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
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149428
PNG
(2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.09,-4.18,;6.42,-3.41,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3
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0.440n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
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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0.450n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149416
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3CCCCc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3
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0.75n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Ro-15-1788 binding to human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149414
PNG
(3-methyl-5-[9-(2-pyridylmethoxy)-4,5,7,8-tetraazat...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3
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0.770n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
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0.790n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
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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 towards human alpha1-beta3-gamma2 GABA-A receptor 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))
BDBM50149426
PNG
(3-isoquinolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cc4ccccc4cn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.42,;1.41,4.26,;1.08,2.74,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;3.78,-4.98,;3.79,-6.51,;5.12,-7.26,;5.14,-8.8,;3.8,-9.59,;2.46,-8.83,;2.46,-7.29,;1.1,-6.52,;1.1,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3
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0.910n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149412
PNG
(3-methyl-5-[9-(3-pyridylmethoxy)-4,5,7,8-tetraazat...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccnc3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3
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0.930n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149420
PNG
(2-bromobenzyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3Br)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.11,-4.2,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3
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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 towards human alpha5-beta3-gamma2 GABA-A receptor 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-2/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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1n/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 alpha2-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))
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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1.30n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
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1.30n/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))
BDBM50144865
PNG
(3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)|
Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3
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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
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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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
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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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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
Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149416
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3CCCCc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3
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1.60n/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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144860
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
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1.60n/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 alpha2-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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149428
PNG
(2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.09,-4.18,;6.42,-3.41,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3
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1.70n/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))
BDBM50149418
PNG
(6-methyl-2-pyridyl[6-(2-pyrazinyl)-4,5,7,8-tetraaz...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;2.99,3.98,;.68,-4.81,)|
Show InChI InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-1/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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1.90n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor 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))
BDBM50149417
PNG
(5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-tetraazat...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2nc(no2)-c2ccncc2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;3.13,3.89,;4.46,3.1,;4.14,1.6,;2.61,1.44,;5.86,3.73,;7.12,2.82,;8.52,3.45,;8.68,4.99,;7.43,5.9,;6.03,5.27,;.68,-4.81,)|
Show InChI InChI=1S/C25H22N8O2/c1-14-3-2-4-18(27-14)13-34-24-20-16-7-5-15(6-8-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-9-11-26-12-10-17/h2-4,9-12,15-16H,5-8,13H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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2.70n/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 alpha2-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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149428
PNG
(2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.09,-4.18,;6.42,-3.41,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3
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2.90n/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 alpha2-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))
BDBM50144862
PNG
(6-methyl-2-pyridyl 6-phenyl-4,5,7,8-tetraazatetrac...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccccc2)n1 |(4.36,-17.37,;3.02,-16.61,;1.69,-17.39,;.36,-16.62,;.36,-15.08,;1.69,-14.31,;1.69,-12.77,;.36,-12,;.36,-10.46,;1.69,-9.69,;1.69,-8.15,;2.83,-7.12,;2.2,-5.7,;.68,-5.88,;.36,-7.38,;-.97,-8.17,;-2.3,-7.38,;-3.08,-8.71,;-1.54,-9.13,;-2.3,-10.46,;-3.63,-9.71,;-3.63,-8.17,;-.97,-9.71,;4.35,-7.43,;5.35,-6.28,;6.87,-6.6,;7.35,-8.06,;6.32,-9.22,;4.81,-8.9,;3.02,-15.08,)|
Show InChI InChI=1S/C24H23N5O/c1-15-6-5-9-19(25-15)14-30-24-21-17-12-10-16(11-13-17)20(21)23-27-26-22(29(23)28-24)18-7-3-2-4-8-18/h2-9,16-17H,10-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50144857
PNG
(6-(3-furyl)-4,5,7,8-tetraazatetracyclo[9.2.2.02,10...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccoc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)|
Show InChI InChI=1S/C22H21N5O2/c1-13-3-2-4-17(23-13)12-29-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-28-11-16/h2-4,9-11,14-15H,5-8,12H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149430
PNG
(5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-tetraazat...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2nc(no2)-c2cccnc2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;3.13,3.89,;4.46,3.1,;4.14,1.6,;2.61,1.44,;5.86,3.73,;6.03,5.27,;7.43,5.9,;8.68,4.99,;8.52,3.45,;7.12,2.82,;.68,-4.81,)|
Show InChI InChI=1S/C25H22N8O2/c1-14-4-2-6-18(27-14)13-34-24-20-16-9-7-15(8-10-16)19(20)22-29-30-23(33(22)31-24)25-28-21(32-35-25)17-5-3-11-26-12-17/h2-6,11-12,15-16H,7-10,13H2,1H3
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3.30n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149416
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3CCCCc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3
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3.5n/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 alpha2-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))
BDBM50149415
PNG
(3-ethyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-t...)
Show SMILES CCc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(7.12,2.84,;5.86,3.73,;4.46,3.1,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)|
Show InChI InChI=1S/C22H23N7O2/c1-3-16-24-22(31-28-16)20-26-25-19-17-13-7-9-14(10-8-13)18(17)21(27-29(19)20)30-11-15-6-4-5-12(2)23-15/h4-6,13-14H,3,7-11H2,1-2H3
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3.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50144864
PNG
(6-methyl-2-pyridyl[6-(3-thienyl)-4,5,7,8-tetraazat...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2ccsc2)n1 |(3.66,-17.2,;2.32,-16.43,;.99,-17.22,;-.34,-16.45,;-.34,-14.91,;.99,-14.15,;.99,-12.61,;-.34,-11.84,;-.34,-10.3,;.99,-9.53,;.99,-7.99,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;3.65,-7.26,;4.28,-8.66,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;2.32,-14.91,)|
Show InChI InChI=1S/C22H21N5OS/c1-13-3-2-4-17(23-13)11-28-22-19-15-7-5-14(6-8-15)18(19)21-25-24-20(27(21)26-22)16-9-10-29-12-16/h2-4,9-10,12,14-15H,5-8,11H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149432
PNG
(1H-2-imidazolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ncc[nH]3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.2,-5.12,;1.69,-6.59,;3.23,-6.58,;3.69,-5.12,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C18H18N8O2/c1-9-21-18(28-25-9)16-23-22-15-13-10-2-4-11(5-3-10)14(13)17(24-26(15)16)27-8-12-19-6-7-20-12/h6-7,10-11H,2-5,8H2,1H3,(H,19,20)
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3.80n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149414
PNG
(3-methyl-5-[9-(2-pyridylmethoxy)-4,5,7,8-tetraazat...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3
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3.90n/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))
BDBM50149425
PNG
(2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...)
Show SMILES Cc1nc([o+][n-]1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc[n+]3[O-])nn12 |(8.97,3.57,;7.56,2.94,;6.21,3.71,;5.07,2.68,;5.7,1.28,;7.24,1.44,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.26,-4.57,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C20H19N7O3/c1-11-21-20(30-25-11)18-23-22-17-15-12-5-7-13(8-6-12)16(15)19(24-27(17)18)29-10-14-4-2-3-9-26(14)28/h2-4,9,12-13H,5-8,10H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149410
PNG
(6-methyl-2-pyridyl[6-(2-thienyl)-4,5,7,8-tetraazat...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cccs2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.61,1.44,;4.14,1.6,;4.46,3.1,;3.13,3.89,;.68,-4.81,)|
Show InChI InChI=1S/C22H21N5OS/c1-13-4-2-5-16(23-13)12-28-22-19-15-9-7-14(8-10-15)18(19)21-25-24-20(27(21)26-22)17-6-3-11-29-17/h2-6,11,14-15H,7-10,12H2,1H3
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4n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149426
PNG
(3-isoquinolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cc4ccccc4cn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.42,;1.41,4.26,;1.08,2.74,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;3.78,-4.98,;3.79,-6.51,;5.12,-7.26,;5.14,-8.8,;3.8,-9.59,;2.46,-8.83,;2.46,-7.29,;1.1,-6.52,;1.1,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3
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4.10n/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-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149416
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3CCCCc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor 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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149412
PNG
(3-methyl-5-[9-(3-pyridylmethoxy)-4,5,7,8-tetraazat...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccnc3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3
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4.20n/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))
BDBM50144863
PNG
(5-methyl-3-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...)
Show SMILES Cc1cc(no1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;4.28,-8.66,;3.65,-7.26,;4.79,-6.23,;6.12,-6.98,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)|
Show InChI InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)11-29-22-19-15-8-6-14(7-9-15)18(19)21-25-24-20(28(21)26-22)17-10-13(2)30-27-17/h3-5,10,14-15H,6-9,11H2,1-2H3
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4.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149411
PNG
(5-methyl-3-[9-(2-pyridylmethoxy)-4,5,7,8-tetraazat...)
Show SMILES Cc1cc(no1)-c1nnc2c3C4CCC(C4)c3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C20H18N6O2/c1-11-8-15(25-28-11)18-22-23-19-16-12-5-6-13(9-12)17(16)20(24-26(18)19)27-10-14-4-2-3-7-21-14/h2-4,7-8,12-13H,5-6,9-10H2,1H3
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5.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149412
PNG
(3-methyl-5-[9-(3-pyridylmethoxy)-4,5,7,8-tetraazat...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccnc3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3
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5.70n/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 alpha2-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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149420
PNG
(2-bromobenzyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3Br)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.11,-4.2,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3
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6.20n/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))
BDBM50149419
PNG
(3-isopropyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7...)
Show SMILES CC(C)c1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(7.12,2.84,;5.86,3.73,;6.03,5.27,;4.46,3.1,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)|
Show InChI InChI=1S/C23H25N7O2/c1-12(2)19-25-23(32-29-19)21-27-26-20-17-14-7-9-15(10-8-14)18(17)22(28-30(20)21)31-11-16-6-4-5-13(3)24-16/h4-6,12,14-15H,7-11H2,1-3H3
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6.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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))
BDBM50149427
PNG
(2-methyl-4-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...)
Show SMILES Cc1nc(co1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(5.16,.46,;4.14,1.6,;2.61,1.44,;1.98,2.85,;3.13,3.89,;4.46,3.1,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;-2,-.21,;-2,-1.73,;-.65,-2.5,;-.65,-4.04,;-1.98,-4.81,;-1.98,-6.35,;-.65,-7.12,;.68,-6.35,;2.03,-7.1,;.68,-4.81,;-.65,.58,;-.67,2.12,)|
Show InChI InChI=1S/C22H22N6O2/c1-12-4-3-5-16(23-12)10-30-22-19-15-8-6-14(7-9-15)18(19)21-26-25-20(28(21)27-22)17-11-29-13(2)24-17/h3-5,11,14-15H,6-10H2,1-2H3
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6.80n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149414
PNG
(3-methyl-5-[9-(2-pyridylmethoxy)-4,5,7,8-tetraazat...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3
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8.5n/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 alpha2-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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149423
PNG
(5,6-dimethyl-2-pyridyl[6-(3-methyl-1,2,4-oxadiazol...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccc(C)c(C)n3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;2.46,-8.83,;3.79,-6.51,;5.12,-7.26,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3
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8.60n/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))
BDBM50149429
PNG
(5-methyl-3-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...)
Show SMILES Cc1cc(no1)-c1nnc2c3C4CCC(C4)c3c(OCc3cccc(C)n3)nn12
Show InChI InChI=1S/C21H20N6O2/c1-11-4-3-5-15(22-11)10-28-21-18-14-7-6-13(9-14)17(18)20-24-23-19(27(20)25-21)16-8-12(2)29-26-16/h3-5,8,13-14H,6-7,9-10H2,1-2H3
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8.90n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor 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-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149423
PNG
(5,6-dimethyl-2-pyridyl[6-(3-methyl-1,2,4-oxadiazol...)
Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccc(C)c(C)n3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;2.46,-8.83,;3.79,-6.51,;5.12,-7.26,;3.78,-4.98,;2.43,.41,;2.43,1.96,)|
Show InChI InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3
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9.80n/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 alpha2-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-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50149418
PNG
(6-methyl-2-pyridyl[6-(2-pyrazinyl)-4,5,7,8-tetraaz...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;2.99,3.98,;.68,-4.81,)|
Show InChI InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3
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10.6n/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
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