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PubMed code 21163663

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333162
PNG
(2-(4-Methylphenyl)-9-[2-(3-thienyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccsc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)
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 0.140n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333160
PNG
(9-Methyl-2-phenyl-2,6-dihydro[1,2,4]triazolo[4,3-c...)
Show SMILES Cc1ccc2[nH]c(=O)n3c(nn(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)
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 0.430n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333163
PNG
(2-(4-Methylphenyl)-9-[2-(3-pyridyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4cccnc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)
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 0.680n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333162
PNG
(2-(4-Methylphenyl)-9-[2-(3-thienyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccsc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)
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 0.710n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha3beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333160
PNG
(9-Methyl-2-phenyl-2,6-dihydro[1,2,4]triazolo[4,3-c...)
Show SMILES Cc1ccc2[nH]c(=O)n3c(nn(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)
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 1n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha2beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333160
PNG
(9-Methyl-2-phenyl-2,6-dihydro[1,2,4]triazolo[4,3-c...)
Show SMILES Cc1ccc2[nH]c(=O)n3c(nn(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)
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 1.30n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha3beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333162
PNG
(2-(4-Methylphenyl)-9-[2-(3-thienyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccsc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)
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KEGG

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 1.70n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha2beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333163
PNG
(2-(4-Methylphenyl)-9-[2-(3-pyridyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4cccnc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)
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 2.30n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha3beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333162
PNG
(2-(4-Methylphenyl)-9-[2-(3-thienyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccsc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C22H18N4O2S/c1-14-2-7-17(8-3-14)26-22(28)25-20(24-26)18-12-15(4-5-16-10-11-29-13-16)6-9-19(18)23-21(25)27/h2-3,6-13H,4-5H2,1H3,(H,23,27)
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KEGG

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 3.60n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha5beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333161
PNG
(2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)
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 3.60n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha1beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333163
PNG
(2-(4-Methylphenyl)-9-[2-(3-pyridyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4cccnc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)
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KEGG

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 4.40n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha2beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333163
PNG
(2-(4-Methylphenyl)-9-[2-(3-pyridyl)ethyl]-2,6-dihy...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4cccnc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C23H19N5O2/c1-15-4-9-18(10-5-15)28-23(30)27-21(26-28)19-13-16(8-11-20(19)25-22(27)29)6-7-17-3-2-12-24-14-17/h2-5,8-14H,6-7H2,1H3,(H,25,29)
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 9.10n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha5beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333161
PNG
(2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)
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 9.70n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha3beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333161
PNG
(2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)
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 65n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha2beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50333161
PNG
(2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1...)
Show SMILES Cc1ccc(cc1)-n1nc2c3cc(CCc4ccccc4)ccc3[nH]c(=O)n2c1=O
Show InChI InChI=1S/C24H20N4O2/c1-16-7-12-19(13-8-16)28-24(30)27-22(26-28)20-15-18(11-14-21(20)25-23(27)29)10-9-17-5-3-2-4-6-17/h2-8,11-15H,9-10H2,1H3,(H,25,29)
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 66n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha5beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...

Bioorg Med Chem 19: 111-21 (2011)


Article DOI: 10.1016/j.bmc.2010.11.050
BindingDB Entry DOI: 10.7270/Q2Z038FK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%