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PubMed code 16610792

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-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50185264
PNG
(CHEMBL204841 | N-((1H-pyrrol-3-yl)methyl)-2-(5-nit...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3cc[nH]c3)c2c1
Show InChI InChI=1S/C15H12N4O4/c20-14(15(21)18-7-9-3-4-16-6-9)12-8-17-13-2-1-10(19(22)23)5-11(12)13/h1-6,8,16-17H,7H2,(H,18,21)
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 9.20n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha1 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50370710
PNG
(CHEMBL1162923)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3ccco3)c2c1
Show InChI InChI=1S/C15H11N3O5/c19-14(15(20)17-7-10-2-1-5-23-10)12-8-16-13-4-3-9(18(21)22)6-11(12)13/h1-6,8,16H,7H2,(H,17,20)
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 20n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha1 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
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



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha1 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
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))		BDBM50185269
PNG
(CHEMBL203629 | N-(furan-3-ylmethyl)-2-(5-nitro-1H-...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3ccoc3)c2c1
Show InChI InChI=1S/C15H11N3O5/c19-14(15(20)17-6-9-3-4-23-8-9)12-7-16-13-2-1-10(18(21)22)5-11(12)13/h1-5,7-8,16H,6H2,(H,17,20)
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 56.6n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha1 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50185273
PNG
(CHEMBL383656 | N-((1H-pyrrol-2-yl)methyl)-2-(5-nit...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3ccc[nH]3)c2c1
Show InChI InChI=1S/C15H12N4O4/c20-14(15(21)18-7-9-2-1-5-16-9)12-8-17-13-4-3-10(19(22)23)6-11(12)13/h1-6,8,16-17H,7H2,(H,18,21)
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 73.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha1 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50185264
PNG
(CHEMBL204841 | N-((1H-pyrrol-3-yl)methyl)-2-(5-nit...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3cc[nH]c3)c2c1
Show InChI InChI=1S/C15H12N4O4/c20-14(15(21)18-7-9-3-4-16-6-9)12-8-17-13-2-1-10(19(22)23)5-11(12)13/h1-6,8,16-17H,7H2,(H,18,21)
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 154n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50370710
PNG
(CHEMBL1162923)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3ccco3)c2c1
Show InChI InChI=1S/C15H11N3O5/c19-14(15(20)17-7-10-2-1-5-23-10)12-8-16-13-4-3-9(18(21)22)6-11(12)13/h1-6,8,16H,7H2,(H,17,20)
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 155n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50185269
PNG
(CHEMBL203629 | N-(furan-3-ylmethyl)-2-(5-nitro-1H-...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3ccoc3)c2c1
Show InChI InChI=1S/C15H11N3O5/c19-14(15(20)17-6-9-3-4-23-8-9)12-7-16-13-2-1-10(18(21)22)5-11(12)13/h1-5,7-8,16H,6H2,(H,17,20)
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 236n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50185266
PNG
(CHEMBL382882 | N-((1H-pyrrol-2-yl)methyl)-2-(1H-in...)
Show SMILES O=C(NCc1ccc[nH]1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H13N3O2/c19-14(15(20)18-8-10-4-3-7-16-10)12-9-17-13-6-2-1-5-11(12)13/h1-7,9,16-17H,8H2,(H,18,20)
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 271n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha1 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50185277
PNG
(CHEMBL381612 | N-((1H-pyrrol-3-yl)methyl)-2-(1H-in...)
Show SMILES O=C(NCc1cc[nH]c1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H13N3O2/c19-14(15(20)18-8-10-5-6-16-7-10)12-9-17-13-4-2-1-3-11(12)13/h1-7,9,16-17H,8H2,(H,18,20)
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 272n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha1 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Rattus norvegicus (Rat))		BDBM50185273
PNG
(CHEMBL383656 | N-((1H-pyrrol-2-yl)methyl)-2-(5-nit...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3ccc[nH]3)c2c1
Show InChI InChI=1S/C15H12N4O4/c20-14(15(21)18-7-9-2-1-5-16-9)12-8-17-13-4-3-10(19(22)23)6-11(12)13/h1-6,8,16-17H,7H2,(H,18,21)
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 585n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)		BDBM50185277
PNG
(CHEMBL381612 | N-((1H-pyrrol-3-yl)methyl)-2-(1H-in...)
Show SMILES O=C(NCc1cc[nH]c1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H13N3O2/c19-14(15(20)18-8-10-5-6-16-7-10)12-9-17-13-4-2-1-3-11(12)13/h1-7,9,16-17H,8H2,(H,18,20)
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 681n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5 receptor plus beta-3-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
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



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2 receptor plus beta-2-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
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)		BDBM50185266
PNG
(CHEMBL382882 | N-((1H-pyrrol-2-yl)methyl)-2-(1H-in...)
Show SMILES O=C(NCc1ccc[nH]1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H13N3O2/c19-14(15(20)18-8-10-4-3-7-16-10)12-9-17-13-6-2-1-5-11(12)13/h1-7,9,16-17H,8H2,(H,18,20)
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 1.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5 receptor plus beta-3-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)		BDBM50185264
PNG
(CHEMBL204841 | N-((1H-pyrrol-3-yl)methyl)-2-(5-nit...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NCc3cc[nH]c3)c2c1
Show InChI InChI=1S/C15H12N4O4/c20-14(15(21)18-7-9-3-4-16-6-9)12-8-17-13-2-1-10(19(22)23)5-11(12)13/h1-6,8,16-17H,7H2,(H,18,21)
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 1.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5 receptor plus beta-3-gamma-2 in HEK293 cells

J Med Chem 49: 2489-95 (2006)


Article DOI: 10.1021/jm0511841
BindingDB Entry DOI: 10.7270/Q25B038F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%