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PubMed code 20355712

Compile data set for download or QSAR
Found 18 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-2/gamma-2


(Homo sapiens (Human))
BDBM50378769
PNG
(CHEMBL1204074)
Show SMILES On1ncc(C2CCNCC2)c1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-23-20(19(14-22-23)16-9-11-21-12-10-16)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
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n/an/a 24n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50208721
PNG
(4-(biphenyl-3-yl)-5-(piperidin-4-yl)isoxazol-3-ol ...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)15-9-11-21-12-10-15)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h1-8,13,15,21H,9-12H2,(H,22,23)
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n/an/a 78n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378770
PNG
(CHEMBL1202335)
Show SMILES On1ncc(C2CCNCC2)c1-c1ccccc1
Show InChI InChI=1S/C14H17N3O/c18-17-14(12-4-2-1-3-5-12)13(10-16-17)11-6-8-15-9-7-11/h1-5,10-11,15,18H,6-9H2
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n/an/a 150n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378760
PNG
(CHEMBL1202340)
Show SMILES On1cc(C2CCNCC2)c(Cc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C19H21N3O/c23-22-13-18(16-7-9-20-10-8-16)19(21-22)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2
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n/an/a 170n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378763
PNG
(CHEMBL1204077)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
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n/an/a 210n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378771
PNG
(CHEMBL1204073)
Show SMILES On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br
Show InChI InChI=1S/C19H20BrN3O/c20-19-15(6-5-13-3-1-2-4-16(13)19)11-18-17(12-22-23(18)24)14-7-9-21-10-8-14/h1-6,12,14,21,24H,7-11H2
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n/an/a 480n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378772
PNG
(CHEMBL1204072)
Show SMILES On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C19H21N3O/c23-22-19(18(13-21-22)16-7-9-20-10-8-16)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-6,11,13,16,20,23H,7-10,12H2
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n/an/a 790n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378764
PNG
(CHEMBL1202338)
Show SMILES Cc1ccc(cc1)-c1nn(O)cc1C1CCNCC1
Show InChI InChI=1S/C15H19N3O/c1-11-2-4-13(5-3-11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378762
PNG
(CHEMBL1202339)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-23-14-19(17-10-12-21-13-11-17)20(22-23)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,14,17,21,24H,10-13H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50095533
PNG
(4-(naphthalen-2-ylmethyl)-5-(piperidin-4-yl)isoxaz...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378765
PNG
(CHEMBL1204076)
Show SMILES Cc1cccc(c1)-c1nn(O)cc1C1CCNCC1
Show InChI InChI=1S/C15H19N3O/c1-11-3-2-4-13(9-11)15-14(10-18(19)17-15)12-5-7-16-8-6-12/h2-4,9-10,12,16,19H,5-8H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378767
PNG
(CHEMBL1202337)
Show SMILES On1cc(C2CCNCC2)c(n1)-c1ccccc1
Show InChI InChI=1S/C14H17N3O/c18-17-10-13(11-6-8-15-9-7-11)14(16-17)12-4-2-1-3-5-12/h1-5,10-11,15,18H,6-9H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378766
PNG
(CHEMBL1204075)
Show SMILES Cc1ccccc1-c1nn(O)cc1C1CCNCC1
Show InChI InChI=1S/C15H19N3O/c1-11-4-2-3-5-13(11)15-14(10-18(19)17-15)12-6-8-16-9-7-12/h2-5,10,12,16,19H,6-9H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378759
PNG
(CHEMBL1204079)
Show SMILES On1nc(c(C2CCNCC2)c1Cc1ccc2ccccc2c1)-c1ccccc1
Show InChI InChI=1S/C25H25N3O/c29-28-23(17-18-10-11-19-6-4-5-9-22(19)16-18)24(20-12-14-26-15-13-20)25(27-28)21-7-2-1-3-8-21/h1-11,16,20,26,29H,12-15,17H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378761
PNG
(CHEMBL1204078)
Show SMILES On1cc(C2CCNCC2)c(Cc2ccccc2)n1
Show InChI InChI=1S/C15H19N3O/c19-18-11-14(13-6-8-16-9-7-13)15(17-18)10-12-4-2-1-3-5-12/h1-5,11,13,16,19H,6-10H2
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n/an/a 8.30E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378768
PNG
(CHEMBL1202336)
Show SMILES Cc1nn(O)cc1C1CCNCC1
Show InChI InChI=1S/C9H15N3O/c1-7-9(6-12(13)11-7)8-2-4-10-5-3-8/h6,8,10,13H,2-5H2,1H3
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50032954
PNG
(5-(piperidin-4-yl)isoxazol-3-ol | 5-Piperidin-4-yl...)
Show SMILES O=c1cc(o[nH]1)C1CCNCC1
Show InChI InChI=1S/C8H12N2O2/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells at < 500 uM by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50378773
PNG
(CHEMBL1204071)
Show SMILES On1cc(cn1)C1CCNCC1
Show InChI InChI=1S/C8H13N3O/c12-11-6-8(5-10-11)7-1-3-9-4-2-7/h5-7,9,12H,1-4H2
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA alpha-1-beta-2-gamma-2 receptor expressed in mouse tsA201 cells at < 500 uM by FMP red assay


J Med Chem 53: 3417-21 (2010)


Article DOI: 10.1021/jm100106r
BindingDB Entry DOI: 10.7270/Q2GF0VFM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%