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PubMed code 17335185

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))		BDBM50206936
PNG
(CHEMBL375367 | N-isopropyl-2-(5-nitro-1H-indol-3-y...)
Show SMILES CC(C)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H13N3O4/c1-7(2)15-13(18)12(17)10-6-14-11-4-3-8(16(19)20)5-9(10)11/h3-7,14H,1-2H3,(H,15,18)
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 15n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206941
PNG
(CHEMBL376508 | N-(4-bromobenzyl)-2-(1H-indol-3-yl)...)
Show SMILES Brc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H13BrN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)
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 17n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206939
PNG
(CHEMBL223707 | N-(p-methylbenzyl)-5-nitroindol-3-y...)
Show SMILES Cc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N3O4/c1-11-2-4-12(5-3-11)9-20-18(23)17(22)15-10-19-16-7-6-13(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
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 31.3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
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
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
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))		BDBM50055261
PNG
(CHEMBL75307 | N-Benzyl-2-(5-nitro-1H-indol-3-yl)-2...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3ccccc3)c2c1
Show InChI InChI=1S/C17H13N3O4/c21-16(17(22)19-9-11-4-2-1-3-5-11)14-10-18-15-7-6-12(20(23)24)8-13(14)15/h1-8,10,18H,9H2,(H,19,22)
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 65n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206941
PNG
(CHEMBL376508 | N-(4-bromobenzyl)-2-(1H-indol-3-yl)...)
Show SMILES Brc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H13BrN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)
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 81n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha2beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206938
PNG
(CHEMBL222316 | N-butyl-2-(5-nitro-1H-indol-3-yl)-2...)
Show SMILES CCCCNC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-2-3-6-15-14(19)13(18)11-8-16-12-5-4-9(17(20)21)7-10(11)12/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,19)
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 125n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206936
PNG
(CHEMBL375367 | N-isopropyl-2-(5-nitro-1H-indol-3-y...)
Show SMILES CC(C)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H13N3O4/c1-7(2)15-13(18)12(17)10-6-14-11-4-3-8(16(19)20)5-9(10)11/h3-7,14H,1-2H3,(H,15,18)
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 175n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha2beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206937
PNG
(CHEMBL373871 | N-(4-ethynylbenzyl)-2-(1H-indol-3-y...)
Show SMILES O=C(NCc1ccc(cc1)C#C)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H14N2O2/c1-2-13-7-9-14(10-8-13)11-21-19(23)18(22)16-12-20-17-6-4-3-5-15(16)17/h1,3-10,12,20H,11H2,(H,21,23)
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 250n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50055239
PNG
(CHEMBL75289 | N-Benzyl-2-(1H-indol-3-yl)-2-oxo-ace...)
Show SMILES O=C(NCc1ccccc1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H14N2O2/c20-16(14-11-18-15-9-5-4-8-13(14)15)17(21)19-10-12-6-2-1-3-7-12/h1-9,11,18H,10H2,(H,19,21)
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 346n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206937
PNG
(CHEMBL373871 | N-(4-ethynylbenzyl)-2-(1H-indol-3-y...)
Show SMILES O=C(NCc1ccc(cc1)C#C)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H14N2O2/c1-2-13-7-9-14(10-8-13)11-21-19(23)18(22)16-12-20-17-6-4-3-5-15(16)17/h1,3-10,12,20H,11H2,(H,21,23)
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 414n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha2beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)		BDBM50206936
PNG
(CHEMBL375367 | N-isopropyl-2-(5-nitro-1H-indol-3-y...)
Show SMILES CC(C)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H13N3O4/c1-7(2)15-13(18)12(17)10-6-14-11-4-3-8(16(19)20)5-9(10)11/h3-7,14H,1-2H3,(H,15,18)
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 498n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha5beta3gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206938
PNG
(CHEMBL222316 | N-butyl-2-(5-nitro-1H-indol-3-yl)-2...)
Show SMILES CCCCNC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-2-3-6-15-14(19)13(18)11-8-16-12-5-4-9(17(20)21)7-10(11)12/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,19)
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 553n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha2beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206942
PNG
(CHEMBL385100 | N-(4-ethylbenzyl)-2-(1H-indol-3-yl)...)
Show SMILES CCc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C19H18N2O2/c1-2-13-7-9-14(10-8-13)11-21-19(23)18(22)16-12-20-17-6-4-3-5-15(16)17/h3-10,12,20H,2,11H2,1H3,(H,21,23)
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 559n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/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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 765n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha2beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
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))		BDBM50206943
PNG
(CHEMBL374536 | N-(4-(prop-1-ynyl)benzyl)-2-(1H-ind...)
Show SMILES CC#Cc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2/c1-2-5-14-8-10-15(11-9-14)12-22-20(24)19(23)17-13-21-18-7-4-3-6-16(17)18/h3-4,6-11,13,21H,12H2,1H3,(H,22,24)
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 881n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)		BDBM50206938
PNG
(CHEMBL222316 | N-butyl-2-(5-nitro-1H-indol-3-yl)-2...)
Show SMILES CCCCNC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-2-3-6-15-14(19)13(18)11-8-16-12-5-4-9(17(20)21)7-10(11)12/h4-5,7-8,16H,2-3,6H2,1H3,(H,15,19)
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 943n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha5beta3gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)		BDBM50206937
PNG
(CHEMBL373871 | N-(4-ethynylbenzyl)-2-(1H-indol-3-y...)
Show SMILES O=C(NCc1ccc(cc1)C#C)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H14N2O2/c1-2-13-7-9-14(10-8-13)11-21-19(23)18(22)16-12-20-17-6-4-3-5-15(16)17/h1,3-10,12,20H,11H2,(H,21,23)
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 1.15E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha5beta3gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206948
PNG
(CHEMBL223476 | N-butyl-2-(1H-indol-3-yl)-2-oxoacet...)
Show SMILES CCCCNC(=O)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H16N2O2/c1-2-3-8-15-14(18)13(17)11-9-16-12-7-5-4-6-10(11)12/h4-7,9,16H,2-3,8H2,1H3,(H,15,18)
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 1.18E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha1beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)		BDBM50206941
PNG
(CHEMBL376508 | N-(4-bromobenzyl)-2-(1H-indol-3-yl)...)
Show SMILES Brc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H13BrN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)
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 1.45E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha5beta3gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50206942
PNG
(CHEMBL385100 | N-(4-ethylbenzyl)-2-(1H-indol-3-yl)...)
Show SMILES CCc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C19H18N2O2/c1-2-13-7-9-14(10-8-13)11-21-19(23)18(22)16-12-20-17-6-4-3-5-15(16)17/h3-10,12,20H,2,11H2,1H3,(H,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.60E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha2beta2gamma2 expressed in HEK293 cells

J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%