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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'johnston' and Initial = 'gar'   
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-A receptor; alpha-5/beta-3/gamma-2


(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



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GABA-A alpha5beta3gamma2 receptor expressed in L(tk) cells


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(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



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GABA-A alpha3beta3gamma2 receptor expressed in L(tk) cells


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50162235
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)|
Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2
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1.20n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GABA-A alpha5beta3gamma2 receptor expressed in L(tk) cells


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50156083
PNG
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
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1.40n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant human GABA-A alpha5beta3gamma2 receptor expressed in mouse L(tk-) cells by radioligand binding assay


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(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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2.70n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GABA-A alpha1beta3gamma2 receptor expressed in L(tk) cells


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50156083
PNG
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
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3n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant human GABA-A alpha5beta3gamma2 receptor expressed in mouse L(tk-) cells by radioligand binding assay


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50162235
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)|
Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2
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12n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GABA-A alpha3beta3gamma2 receptor expressed in L(tk) cells


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143106
PNG
(6-Benzyloxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthala...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2
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38n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GABA-A alpha5beta3gamma2 receptor expressed in L(tk) cells


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143106
PNG
(6-Benzyloxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthala...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2
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41n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GABA-A alpha3beta3gamma2 receptor expressed in L(tk) cells


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50162235
PNG
(6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...)
Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)|
Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2
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71n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GABA-A alpha1beta3gamma2 receptor expressed in L(tk) cells


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50143106
PNG
(6-Benzyloxy-3-phenyl-[1,2,4]triazolo[3,4-a]phthala...)
Show SMILES C(Oc1nn2c(nnc2c2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H16N4O/c1-3-9-16(10-4-1)15-27-22-19-14-8-7-13-18(19)21-24-23-20(26(21)25-22)17-11-5-2-6-12-17/h1-14H,15H2
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280n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GABA-A alpha1beta3gamma2 receptor expressed in L(tk) cells


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50240512
PNG
(7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one | ...)
Show SMILES [#6]-[#8]-c1ccc2ccc(=O)oc2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
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n/an/an/an/a 1.40E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABA-A alpha1beta2gamma2S receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced c...


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50361376
PNG
(OXYPEUCEDANIN)
Show SMILES CC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12 |r|
Show InChI InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1
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n/an/an/an/a 2.50E+4n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GABA-A alpha1beta2gamma2S receptor expressed in Xenopus laevis oocytes assessed as increase in GABA-induced c...


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50512168
PNG
(CHEMBL4464551)
Show SMILES CCCc1cc2c(cc1OC(=O)CC)oc(CC)c(-c1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C24H24O6/c1-4-7-14-10-16-20(12-19(14)30-22(25)6-3)29-17(5-2)23(24(16)26)15-8-9-18-21(11-15)28-13-27-18/h8-12H,4-7,13H2,1-3H3
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n/an/an/an/a 9.30E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human recombinant GABA-A alpha1beta2gamma2L receptor expressed in Xenopus laevis oocytes by two-electrode voltage c...


Eur J Med Chem 171: 434-461 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.043
BindingDB Entry DOI: 10.7270/Q2125X0P
More data for this
Ligand-Target Pair