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Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'petersen' and Initial = 'jg'   
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
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50422013
PNG
(LOBELINE | Lobeline Hydrochloride)
Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21+/m1/s1
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5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 (unknown origin)


Eur J Med Chem 102: 425-44 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.024
BindingDB Entry DOI: 10.7270/Q2765H4R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50422013
PNG
(LOBELINE | Lobeline Hydrochloride)
Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21+/m1/s1
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5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 (unknown origin)


Eur J Med Chem 102: 425-44 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.024
BindingDB Entry DOI: 10.7270/Q2765H4R
More data for this
Ligand-Target Pair
Acetylcholine-binding protein


(Lymnaea stagnalis)
BDBM50425041
PNG
(CHEMBL2312565)
Show SMILES C[C@H](CCOc1nccn1C)N(C)C |r|
Show InChI InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1
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45n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...


J Med Chem 56: 940-51 (2013)


Article DOI: 10.1021/jm301409f
BindingDB Entry DOI: 10.7270/Q2RJ4KST
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine-binding protein


(Lymnaea stagnalis)
BDBM50425042
PNG
((R)-3-(Dimethylamino)Butyl Dimethylcarbamate | CHE...)
Show SMILES C[C@H](CCOC(=O)N(C)C)N(C)C |r|
Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3/t8-/m1/s1
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79n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...


J Med Chem 56: 940-51 (2013)


Article DOI: 10.1021/jm301409f
BindingDB Entry DOI: 10.7270/Q2RJ4KST
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine-binding protein


(Lymnaea stagnalis)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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83n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...


J Med Chem 56: 940-51 (2013)


Article DOI: 10.1021/jm301409f
BindingDB Entry DOI: 10.7270/Q2RJ4KST
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholine-binding protein


(Lymnaea stagnalis)
BDBM50425040
PNG
(CHEMBL2312564)
Show SMILES C[C@H](CCOc1nc(C)cn1C)N(C)C |r|
Show InChI InChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from Lymnaea stagnalis AChBP linked to ion channel portion of 5-HT3A receptor expressed in HEK293 cells after 4 hrs b...


J Med Chem 56: 940-51 (2013)


Article DOI: 10.1021/jm301409f
BindingDB Entry DOI: 10.7270/Q2RJ4KST
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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1.70E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat nAChR alpha7 linked to ion channel portion of 5-HT3A receptor expressed in human tsA-201 cells after 2.5 hrs by scin...


J Med Chem 56: 940-51 (2013)


Article DOI: 10.1021/jm301409f
BindingDB Entry DOI: 10.7270/Q2RJ4KST
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50425040
PNG
(CHEMBL2312564)
Show SMILES C[C@H](CCOc1nc(C)cn1C)N(C)C |r|
Show InChI InChI=1S/C11H21N3O/c1-9-8-14(5)11(12-9)15-7-6-10(2)13(3)4/h8,10H,6-7H2,1-5H3/t10-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat nAChR alpha7 linked to ion channel portion of 5-HT3A receptor expressed in human tsA-201 cells after 2.5 hrs by scin...


J Med Chem 56: 940-51 (2013)


Article DOI: 10.1021/jm301409f
BindingDB Entry DOI: 10.7270/Q2RJ4KST
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50425043
PNG
(CHEMBL2312563)
Show SMILES C[C@H](CCOc1nc(Br)cn1C)N(C)C |r|
Show InChI InChI=1S/C10H18BrN3O/c1-8(13(2)3)5-6-15-10-12-9(11)7-14(10)4/h7-8H,5-6H2,1-4H3/t8-/m1/s1
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1.00E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat nAChR alpha7 linked to ion channel portion of 5-HT3A receptor expressed in human tsA-201 cells after 2.5 hrs by scin...


J Med Chem 56: 940-51 (2013)


Article DOI: 10.1021/jm301409f
BindingDB Entry DOI: 10.7270/Q2RJ4KST
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50425041
PNG
(CHEMBL2312565)
Show SMILES C[C@H](CCOc1nccn1C)N(C)C |r|
Show InChI InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1
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1.00E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat nAChR alpha7 linked to ion channel portion of 5-HT3A receptor expressed in human tsA-201 cells after 2.5 hrs by scin...


J Med Chem 56: 940-51 (2013)


Article DOI: 10.1021/jm301409f
BindingDB Entry DOI: 10.7270/Q2RJ4KST
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50425042
PNG
((R)-3-(Dimethylamino)Butyl Dimethylcarbamate | CHE...)
Show SMILES C[C@H](CCOC(=O)N(C)C)N(C)C |r|
Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3/t8-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat nAChR alpha7 linked to ion channel portion of 5-HT3A receptor expressed in human tsA-201 cells after 2.5 hrs by scin...


J Med Chem 56: 940-51 (2013)


Article DOI: 10.1021/jm301409f
BindingDB Entry DOI: 10.7270/Q2RJ4KST
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052792
PNG
(CHEBI:7035 | Muscimol)
Show SMILES NCc1cc(O)no1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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n/an/an/an/a 540n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50032955
PNG
(1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid | 1,...)
Show SMILES OC(=O)C1=CCNCC1 |t:3|
Show InChI InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
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n/an/an/an/a 1.10E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052793
PNG
(CHEBI:68583 | CHEMBL3322864)
Show SMILES Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
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n/an/an/an/a>3.00E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052794
PNG
(CHEMBL3322871)
Show SMILES CCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052795
PNG
(CHEMBL3322872)
Show SMILES CCCCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052796
PNG
(CHEMBL3322875)
Show SMILES Cc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052797
PNG
(CHEMBL3322876)
Show SMILES CCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052798
PNG
(CHEMBL3322877)
Show SMILES CCCCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052799
PNG
(CHEMBL3322882)
Show SMILES NC1=NCC(CC1)C(O)=O |t:1|
Show InChI InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)
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n/an/an/an/a 2.60E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052800
PNG
(CHEMBL3322883)
Show SMILES CNC1=NCC(CC1)C(O)=O |t:2|
Show InChI InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052801
PNG
(CHEMBL3322886)
Show SMILES NC1=NCC(CN1)C(O)=O |t:1|
Show InChI InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)
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n/an/an/an/a 1.40E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/an/an/a 1.78E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052792
PNG
(CHEBI:7035 | Muscimol)
Show SMILES NCc1cc(O)no1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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n/an/an/an/a 537n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50032955
PNG
(1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid | 1,...)
Show SMILES OC(=O)C1=CCNCC1 |t:3|
Show InChI InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
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n/an/an/an/a 1.12E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052793
PNG
(CHEBI:68583 | CHEMBL3322864)
Show SMILES Nc1ccc(cn1)C(O)=O
Show InChI InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10)
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n/an/an/an/a<3.16E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052794
PNG
(CHEMBL3322871)
Show SMILES CCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052795
PNG
(CHEMBL3322872)
Show SMILES CCCCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
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n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052796
PNG
(CHEMBL3322875)
Show SMILES Cc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C7H8N2O2/c1-4-2-6(8)9-3-5(4)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)
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n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052797
PNG
(CHEMBL3322876)
Show SMILES CCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052798
PNG
(CHEMBL3322877)
Show SMILES CCCCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
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n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052799
PNG
(CHEMBL3322882)
Show SMILES NC1=NCC(CC1)C(O)=O |t:1|
Show InChI InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)
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n/an/an/an/a 2.63E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052800
PNG
(CHEMBL3322883)
Show SMILES CNC1=NCC(CC1)C(O)=O |t:2|
Show InChI InChI=1S/C7H12N2O2/c1-8-6-3-2-5(4-9-6)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)
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n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50052801
PNG
(CHEMBL3322886)
Show SMILES NC1=NCC(CN1)C(O)=O |t:1|
Show InChI InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)
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n/an/an/an/a 1.41E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAAalpha1beta2gamma2S receptor expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/an/an/a 270n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052792
PNG
(CHEBI:7035 | Muscimol)
Show SMILES NCc1cc(O)no1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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n/an/an/an/a 700n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50032955
PNG
(1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid | 1,...)
Show SMILES OC(=O)C1=CCNCC1 |t:3|
Show InChI InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
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n/an/an/an/a 3.90E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052794
PNG
(CHEMBL3322871)
Show SMILES CCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052795
PNG
(CHEMBL3322872)
Show SMILES CCCCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052797
PNG
(CHEMBL3322876)
Show SMILES CCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052798
PNG
(CHEMBL3322877)
Show SMILES CCCCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-4-7-5-9(11)12-6-8(7)10(13)14/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
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n/an/an/an/a>1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052799
PNG
(CHEMBL3322882)
Show SMILES NC1=NCC(CC1)C(O)=O |t:1|
Show InChI InChI=1S/C6H10N2O2/c7-5-2-1-4(3-8-5)6(9)10/h4H,1-3H2,(H2,7,8)(H,9,10)
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PubMed
n/an/an/an/a 2.30E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052801
PNG
(CHEMBL3322886)
Show SMILES NC1=NCC(CN1)C(O)=O |t:1|
Show InChI InChI=1S/C5H9N3O2/c6-5-7-1-3(2-8-5)4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)
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Article
PubMed
n/an/an/an/a 8.10E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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Article
PubMed
n/an/an/an/a 269n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052792
PNG
(CHEBI:7035 | Muscimol)
Show SMILES NCc1cc(O)no1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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PubMed
n/an/an/an/a 692n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50032955
PNG
(1,2,3,6-Tetrahydro-pyridine-4-carboxylic acid | 1,...)
Show SMILES OC(=O)C1=CCNCC1 |t:3|
Show InChI InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)
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Article
PubMed
n/an/an/an/a 3.89E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052794
PNG
(CHEMBL3322871)
Show SMILES CCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-6-5(8(11)12)3-4-7(9)10-6/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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Article
PubMed
n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052795
PNG
(CHEMBL3322872)
Show SMILES CCCCc1nc(N)ccc1C(O)=O
Show InChI InChI=1S/C10H14N2O2/c1-2-3-4-8-7(10(13)14)5-6-9(11)12-8/h5-6H,2-4H2,1H3,(H2,11,12)(H,13,14)
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Article
PubMed
n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
BDBM50052797
PNG
(CHEMBL3322876)
Show SMILES CCc1cc(N)ncc1C(O)=O
Show InChI InChI=1S/C8H10N2O2/c1-2-5-3-7(9)10-4-6(5)8(11)12/h3-4H,2H2,1H3,(H2,9,10)(H,11,12)
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Article
PubMed
n/an/an/an/a<1.00E+6n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 expressed in tsA-201cells by FLIPR membrane potential blue assay


Eur J Med Chem 84: 404-16 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.039
BindingDB Entry DOI: 10.7270/Q2QV3P4Z
More data for this
Ligand-Target Pair
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