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PubMed code 11428922

Compile data set for download or QSAR
Found 21 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


(Rattus norvegicus (Rat))
BDBM50101427
PNG
((R)-2-(5-nitro-1H-indol-3-yl)-2-oxo-N-(1-phenyleth...)
Show SMILES C[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H15N3O4/c1-11(12-5-3-2-4-6-12)20-18(23)17(22)15-10-19-16-8-7-13(21(24)25)9-14(15)16/h2-11,19H,1H3,(H,20,23)/t11-/m1/s1
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14n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50101429
PNG
(2-(1H-Indol-3-yl)-N-(4-nitro-benzyl)-2-oxo-acetami...)
Show SMILES [O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H13N3O4/c21-16(14-10-18-15-4-2-1-3-13(14)15)17(22)19-9-11-5-7-12(8-6-11)20(23)24/h1-8,10,18H,9H2,(H,19,22)
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16n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50066949
PNG
((1H-Indol-3-yl)-oxo-acetic acid N'-(4-nitro-phenyl...)
Show SMILES [O-][N+](=O)c1ccc(NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C16H12N4O4/c21-15(13-9-17-14-4-2-1-3-12(13)14)16(22)19-18-10-5-7-11(8-6-10)20(23)24/h1-9,17-18H,(H,19,22)
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25n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50066949
PNG
((1H-Indol-3-yl)-oxo-acetic acid N'-(4-nitro-phenyl...)
Show SMILES [O-][N+](=O)c1ccc(NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C16H12N4O4/c21-15(13-9-17-14-4-2-1-3-12(13)14)16(22)19-18-10-5-7-11(8-6-10)20(23)24/h1-9,17-18H,(H,19,22)
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40n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha3-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50055247
PNG
(CHEMBL75306 | N-(4-Methoxy-benzyl)-2-(5-nitro-1H-i...)
Show SMILES COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
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42n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50066949
PNG
((1H-Indol-3-yl)-oxo-acetic acid N'-(4-nitro-phenyl...)
Show SMILES [O-][N+](=O)c1ccc(NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C16H12N4O4/c21-15(13-9-17-14-4-2-1-3-12(13)14)16(22)19-18-10-5-7-11(8-6-10)20(23)24/h1-9,17-18H,(H,19,22)
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43n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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50n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil specific binding at rat GABA-A alpha1-beta2-gamma2 receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50101429
PNG
(2-(1H-Indol-3-yl)-N-(4-nitro-benzyl)-2-oxo-acetami...)
Show SMILES [O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H13N3O4/c21-16(14-10-18-15-4-2-1-3-13(14)15)17(22)19-9-11-5-7-12(8-6-11)20(23)24/h1-8,10,18H,9H2,(H,19,22)
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58n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50268784
PNG
((R)-N-(2,3-dihydro-1H-inden-1-yl)-2-(5-nitro-1H-in...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)N[C@@H]3CCc4ccccc34)c2c1 |r|
Show InChI InChI=1S/C19H15N3O4/c23-18(15-10-20-16-8-6-12(22(25)26)9-14(15)16)19(24)21-17-7-5-11-3-1-2-4-13(11)17/h1-4,6,8-10,17,20H,5,7H2,(H,21,24)/t17-/m1/s1
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95n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50055247
PNG
(CHEMBL75306 | N-(4-Methoxy-benzyl)-2-(5-nitro-1H-i...)
Show SMILES COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
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126n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50055247
PNG
(CHEMBL75306 | N-(4-Methoxy-benzyl)-2-(5-nitro-1H-i...)
Show SMILES COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
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137n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha3-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50089770
PNG
(1-(1,3-Dihydro-isoindol-2-yl)-2-(1H-indol-3-yl)-et...)
Show SMILES O=C(N1Cc2ccccc2C1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H14N2O2/c21-17(15-9-19-16-8-4-3-7-14(15)16)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9,19H,10-11H2
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224n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50101427
PNG
((R)-2-(5-nitro-1H-indol-3-yl)-2-oxo-N-(1-phenyleth...)
Show SMILES C[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H15N3O4/c1-11(12-5-3-2-4-6-12)20-18(23)17(22)15-10-19-16-8-7-13(21(24)25)9-14(15)16/h2-11,19H,1H3,(H,20,23)/t11-/m1/s1
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239n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50101427
PNG
((R)-2-(5-nitro-1H-indol-3-yl)-2-oxo-N-(1-phenyleth...)
Show SMILES C[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H15N3O4/c1-11(12-5-3-2-4-6-12)20-18(23)17(22)15-10-19-16-8-7-13(21(24)25)9-14(15)16/h2-11,19H,1H3,(H,20,23)/t11-/m1/s1
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283n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha3-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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765n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat GABA-A receptor alpha3-beta2-gamma2 subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50101422
PNG
((R)-2-(1H-indol-3-yl)-2-oxo-N-(1-phenylethyl)aceta...)
Show SMILES C[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C18H16N2O2/c1-12(13-7-3-2-4-8-13)20-18(22)17(21)15-11-19-16-10-6-5-9-14(15)16/h2-12,19H,1H3,(H,20,22)/t12-/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha1-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50101429
PNG
(2-(1H-Indol-3-yl)-N-(4-nitro-benzyl)-2-oxo-acetami...)
Show SMILES [O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H13N3O4/c21-16(14-10-18-15-4-2-1-3-13(14)15)17(22)19-9-11-5-7-12(8-6-11)20(23)24/h1-8,10,18H,9H2,(H,19,22)
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1.60E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha3-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50268784
PNG
((R)-N-(2,3-dihydro-1H-inden-1-yl)-2-(5-nitro-1H-in...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)N[C@@H]3CCc4ccccc34)c2c1 |r|
Show InChI InChI=1S/C19H15N3O4/c23-18(15-10-20-16-8-6-12(22(25)26)9-14(15)16)19(24)21-17-7-5-11-3-1-2-4-13(11)17/h1-4,6,8-10,17,20H,5,7H2,(H,21,24)/t17-/m1/s1
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1.96E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha3-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50268744
PNG
((R)-N-(2,3-dihydro-1H-inden-1-yl)-2-(1H-indol-3-yl...)
Show SMILES O=C(N[C@@H]1CCc2ccccc12)C(=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C19H16N2O2/c22-18(15-11-20-16-8-4-3-7-14(15)16)19(23)21-17-10-9-12-5-1-2-6-13(12)17/h1-8,11,17,20H,9-10H2,(H,21,23)/t17-/m1/s1
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2.16E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50089770
PNG
(1-(1,3-Dihydro-isoindol-2-yl)-2-(1H-indol-3-yl)-et...)
Show SMILES O=C(N1Cc2ccccc2C1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H14N2O2/c21-17(15-9-19-16-8-4-3-7-14(15)16)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9,19H,10-11H2
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PubMed
3.20E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha3-beta2-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50101422
PNG
((R)-2-(1H-indol-3-yl)-2-oxo-N-(1-phenylethyl)aceta...)
Show SMILES C[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1 |r|
Show InChI InChI=1S/C18H16N2O2/c1-12(13-7-3-2-4-8-13)20-18(22)17(21)15-11-19-16-10-6-5-9-14(15)16/h2-12,19H,1H3,(H,20,22)/t12-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.50E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%