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PubMed code 17375905

Compile data set for download or QSAR
Found 20 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))
BDBM50370912
PNG
(CHEMBL1202309)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H20N2O3/c23-20-18(19(25-22-20)15-10-12-21-13-11-15)14-6-8-17(9-7-14)24-16-4-2-1-3-5-16/h1-9,15,21H,10-13H2,(H,22,23)
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8n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370916
PNG
(CHEMBL1202310)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1csc(c1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O2S/c21-18-16(17(22-20-18)13-6-8-19-9-7-13)14-10-15(23-11-14)12-4-2-1-3-5-12/h1-5,10-11,13,19H,6-9H2,(H,20,21)
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9n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/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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10n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50208717
PNG
(4-(bromo(naphthalen-2-yl)methyl)-5-(piperidin-4-yl...)
Show SMILES BrC(c1c(o[nH]c1=O)C1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H19BrN2O2/c20-17(15-6-5-12-3-1-2-4-14(12)11-15)16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,11,13,17,21H,7-10H2,(H,22,23)
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42n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370917
PNG
(CHEMBL1202300)
Show SMILES Clc1cccc(c1)-c1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C14H15ClN2O2/c15-11-3-1-2-10(8-11)12-13(19-17-14(12)18)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7H2,(H,17,18)
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48n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370918
PNG
(CHEMBL1202304)
Show SMILES Nc1cccc(c1)-c1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C14H17N3O2/c15-11-3-1-2-10(8-11)12-13(19-17-14(12)18)9-4-6-16-7-5-9/h1-3,8-9,16H,4-7,15H2,(H,17,18)
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59n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370915
PNG
(CHEMBL1202302)
Show SMILES Clc1cc(Cl)cc(c1)-c1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C14H14Cl2N2O2/c15-10-5-9(6-11(16)7-10)12-13(20-18-14(12)19)8-1-3-17-4-2-8/h5-8,17H,1-4H2,(H,18,19)
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68n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370911
PNG
(CHEMBL1202308)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H20N2O2/c23-20-18(19(24-22-20)17-10-12-21-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,23)
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71n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370913
PNG
(CHEMBL1202306)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1ccsc1
Show InChI InChI=1S/C12H14N2O2S/c15-12-10(9-3-6-17-7-9)11(16-14-12)8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H,14,15)
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76n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370914
PNG
(CHEMBL1202299)
Show SMILES Clc1ccccc1-c1c(o[nH]c1=O)C1CCNCC1 |(2.11,1.42,;3.31,1.71,;3.74,3.19,;5.24,3.56,;6.3,2.44,;5.87,.96,;4.37,.6,;4.06,-.9,;2.67,-1.54,;2.81,-3.06,;4.31,-3.38,;5.09,-2.05,;6.31,-1.92,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,)|
Show InChI InChI=1S/C14H15ClN2O2/c15-11-4-2-1-3-10(11)12-13(19-17-14(12)18)9-5-7-16-8-6-9/h1-4,9,16H,5-8H2,(H,17,18)
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129n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370921
PNG
(CHEMBL1202303)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C14H15N3O4/c18-14-12(10-2-1-3-11(8-10)17(19)20)13(21-16-14)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2,(H,16,18)
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138n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50159237
PNG
(4-(naphthalen-2-yl)-5-(piperidin-4-yl)isoxazol-3-o...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-7-9-19-10-8-13)15-6-5-12-3-1-2-4-14(12)11-15/h1-6,11,13,19H,7-10H2,(H,20,21)
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141n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50159235
PNG
(4-Phenyl-5-piperidin-4-yl-isoxazol-3-ol | 4-phenyl...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c17-14-12(10-4-2-1-3-5-10)13(18-16-14)11-6-8-15-9-7-11/h1-5,11,15H,6-9H2,(H,16,17)
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159n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50159239
PNG
(4-((1-phenylnaphthalen-2-yl)methyl)-5-(piperidin-4...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C25H24N2O2/c28-25-22(24(29-27-25)19-12-14-26-15-13-19)16-20-11-10-17-6-4-5-9-21(17)23(20)18-7-2-1-3-8-18/h1-11,19,26H,12-16H2,(H,27,28)
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198n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370910
PNG
(CHEMBL1202301)
Show SMILES Clc1ccc(cc1)-c1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C14H15ClN2O2/c15-11-3-1-9(2-4-11)12-13(19-17-14(12)18)10-5-7-16-8-6-10/h1-4,10,16H,5-8H2,(H,17,18)
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204n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370919
PNG
(CHEMBL1202307)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(o[nH]c1=O)C1CCNCC1
Show InChI InChI=1S/C18H24N2O2/c1-18(2,3)14-6-4-12(5-7-14)15-16(22-20-17(15)21)13-8-10-19-11-9-13/h4-7,13,19H,8-11H2,1-3H3,(H,20,21)
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257n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50159229
PNG
(4-(naphthalen-1-yl)-5-(piperidin-4-yl)isoxazol-3-o...)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1cccc2ccccc12 |(3.22,1.3,;2.59,-.12,;3.35,-1.45,;2.31,-2.59,;.89,-1.96,;-.43,-2.72,;-1.76,-1.96,;-3.1,-2.72,;-3.1,-4.28,;-1.76,-5.03,;-.43,-4.28,;1.08,-.43,;-.06,.61,;-1.53,.14,;-2.67,1.18,;-2.34,2.7,;-.88,3.17,;-.53,4.66,;.92,5.12,;2.08,4.09,;1.73,2.58,;.26,2.12,)|
Show InChI InChI=1S/C18H18N2O2/c21-18-16(17(22-20-18)13-8-10-19-11-9-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13,19H,8-11H2,(H,20,21)
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334n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/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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370n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50370909
PNG
(CHEMBL1202305)
Show SMILES O=c1[nH]oc(C2CCNCC2)c1-c1cccnc1
Show InChI InChI=1S/C13H15N3O2/c17-13-11(10-2-1-5-15-8-10)12(18-16-13)9-3-6-14-7-4-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,16,17)
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427n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/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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Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus oocytes by two-electrode voltage-clamp electrophysiology


J Med Chem 50: 1988-92 (2007)


Article DOI: 10.1021/jm070038n
BindingDB Entry DOI: 10.7270/Q2D21ZDC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%