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Found 714 hits Enz. Inhib. hit(s) with Target = 'GABA receptor alpha-2/beta-3/gamma-2 subunit' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50083912
PNG
(2-(4-Ethynyl-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccc(cc1)C#C
Show InChI InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,20H
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0.0300n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50083898
PNG
(8-Ethynyl-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quin...)
Show SMILES O=c1n([nH]c2c1cnc1ccc(cc21)C#C)-c1ccccc1
Show InChI InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,20H
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0.0600n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50083893
PNG
(8-Bromo-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinol...)
Show SMILES Brc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,19H
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0.0800n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50017009
PNG
(2-Phenyl-2,3a-dihydro-pyrazolo[4,3-c]quinolin-3-on...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1
Show InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
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0.0800n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM85042
PNG
(CHEMBL44613 | PW-007A)
Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3
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0.100n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50034837
PNG
(8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quino...)
Show SMILES Clc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,19H
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0.170n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50083903
PNG
(7-Chloro-5-furan-2-yl-1-methyl-1,3-dihydro-benzo[e...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccco1
Show InChI InChI=1S/C14H11ClN2O2/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3
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>0.170n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50083905
PNG
(2-(4-Bromo-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quin...)
Show SMILES Brc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
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0.210n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50176776
PNG
(7-cyclobutyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmetho...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1ccccc1
Show InChI InChI=1S/C19H19N7O/c1-25-17(20-12-21-25)11-27-19-15(13-8-5-9-13)10-16-22-23-18(26(16)24-19)14-6-3-2-4-7-14/h2-4,6-7,10,12-13H,5,8-9,11H2,1H3
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0.25n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.300n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha2 in combination with beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50418481
PNG
(CHEMBL1783282)
Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(F)cccc1OC
Show InChI InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)
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0.309n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50176771
PNG
(7-(1,1-dimethyleth-1-yl)-3-(2-fluoro-phenyl)-6-(2-...)
Show SMILES CCn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1ccccc1F
Show InChI InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3
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0.310n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50418483
PNG
(CHEMBL1783284)
Show SMILES COc1ccc(c(OC)n1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1
Show InChI InChI=1S/C19H18FN5O3/c1-27-13-8-6-10(19(23-13)28-2)14-12(20)7-5-11-15(21)17(25-24-16(11)14)18(26)22-9-3-4-9/h5-9H,3-4H2,1-2H3,(H2,21,24)(H,22,26)
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0.380n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50179995
PNG
(3'-(7-methyl-imidazo[1,2-a]pyrimidin-3-yl)-bipheny...)
Show SMILES Cc1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50418482
PNG
(CHEMBL1783283)
Show SMILES CCCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1ccc(OC)cc1OC
Show InChI InChI=1S/C20H21FN4O3/c1-4-9-23-20(26)19-17(22)13-7-8-14(21)16(18(13)24-25-19)12-6-5-11(27-2)10-15(12)28-3/h5-8,10H,4,9H2,1-3H3,(H2,22,24)(H,23,26)
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0.407n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50180004
PNG
(2-fluoro-5-(7-trifluoromethylimidazo[1,2-a]pyrimid...)
Show SMILES Fc1ccc(cc1-c1ccccc1C#N)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H10F4N4/c21-16-6-5-12(9-15(16)14-4-2-1-3-13(14)10-25)17-11-26-19-27-18(20(22,23)24)7-8-28(17)19/h1-9,11H
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0.520n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha2 in combination with beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50418488
PNG
(CHEMBL1783285)
Show SMILES COc1cc(c(OC)nn1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1
Show InChI InChI=1S/C18H17FN6O3/c1-27-12-7-10(18(28-2)25-22-12)13-11(19)6-5-9-14(20)16(24-23-15(9)13)17(26)21-8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,20,23)(H,21,26)
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0.562n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50144858
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha2-beta3-gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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0.590n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50144856
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12
Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3
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0.640n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50083908
PNG
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50179998
PNG
(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F
Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha2 in combination with beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50143104
PNG
(6-(1-Methyl-1H-imidazol-2-ylmethoxy)-3-phenyl-[1,2...)
Show SMILES Cn1ccnc1COc1nn2c(nnc2c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C20H16N6O/c1-25-12-11-21-17(25)13-27-20-16-10-6-5-9-15(16)19-23-22-18(26(19)24-20)14-7-3-2-4-8-14/h2-12H,13H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50176772
PNG
(7-cyclopentyl-6-(2-methyl-2H-1,2,4-trizol-3-ylmeth...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCCC1)-c1ccccc1
Show InChI InChI=1S/C20H21N7O/c1-26-18(21-13-22-26)12-28-20-16(14-7-5-6-8-14)11-17-23-24-19(27(17)25-20)15-9-3-2-4-10-15/h2-4,9-11,13-14H,5-8,12H2,1H3
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0.730n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha2beta3gamma2 receptor expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50179996
PNG
(4,2'-difluoro-5'-(7-trifluoromethyl-imidazo[1,2-a]...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H
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0.730n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50148320
PNG
(2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...)
Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O
Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2
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0.770n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-Ro-15-1788 from human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50179995
PNG
(3'-(7-methyl-imidazo[1,2-a]pyrimidin-3-yl)-bipheny...)
Show SMILES Cc1ccn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C20H14N4/c1-14-9-10-24-19(13-22-20(24)23-14)16-7-4-6-15(11-16)18-8-3-2-5-17(18)12-21/h2-11,13H,1H3
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0.780n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha2 in combination with beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50182464
PNG
(2',4-difluoro-5'-[3-(trifluoromethyl)imidazo[1,2-b...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(cnn12)C(F)(F)F
Show InChI InChI=1S/C19H8F5N5/c20-12-2-3-13(11(5-12)7-25)14-6-10(1-4-15(14)21)16-8-26-18-28-17(19(22,23)24)9-27-29(16)18/h1-6,8-9H
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50156083
PNG
(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
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0.850n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human gamma-aminobutyric-acid GABA-A receptor alpha2-beta3-gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity of the compound tested against alpha2-beta3-gamma2 GABAA/BzR receptor subtype.


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50179927
PNG
(2-(7-(4-fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1ccncc1
Show InChI InChI=1S/C19H16FN5O/c1-19(2,26)17-11-23-25-16(10-22-18(25)24-17)13-3-4-15(20)14(9-13)12-5-7-21-8-6-12/h3-11,26H,1-2H3
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0.920n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha2 receptor plus beta3gamma2 expressed in mouse L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50418486
PNG
(CHEMBL1783276)
Show SMILES COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c3c(cn(C4CCC4)c3=O)[nH]c12
Show InChI InChI=1S/C23H22FN3O3/c1-29-13-6-9-18(30-2)15(10-13)19-16(24)8-7-14-21(25)20-17(26-22(14)19)11-27(23(20)28)12-4-3-5-12/h6-12,26H,3-5,25H2,1-2H3
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1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50143105
PNG
(6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...)
Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1
Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3
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1n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50182468
PNG
(4,6,2'-Trifluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-...)
Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cc(F)cc1C#N
Show InChI InChI=1S/C21H14F3N5O/c1-21(2,30)18-10-27-29-17(9-26-20(29)28-18)11-3-4-15(23)14(6-11)19-12(8-25)5-13(22)7-16(19)24/h3-7,9-10,30H,1-2H3
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50418445
PNG
(CHEMBL1783245)
Show SMILES CCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N
Show InChI InChI=1S/C16H22N4O/c1-4-8-18-16(21)15-13(17)12-7-5-6-11(9-10(2)3)14(12)19-20-15/h5-7,10H,4,8-9H2,1-3H3,(H2,17,19)(H,18,21)
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1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50333160
PNG
(9-Methyl-2-phenyl-2,6-dihydro[1,2,4]triazolo[4,3-c...)
Show SMILES Cc1ccc2[nH]c(=O)n3c(nn(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H12N4O2/c1-10-7-8-13-12(9-10)14-18-20(11-5-3-2-4-6-11)16(22)19(14)15(21)17-13/h2-9H,1H3,(H,17,21)
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1n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil human recombinant alpha2beta3gamma2 GABA(A) receptor expressed in HEK293 cells after 30 mins by glass fiber filtration...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50179996
PNG
(4,2'-difluoro-5'-(7-trifluoromethyl-imidazo[1,2-a]...)
Show SMILES Fc1ccc(c(c1)C#N)-c1cc(ccc1F)-c1cnc2nc(ccn12)C(F)(F)F
Show InChI InChI=1S/C20H9F5N4/c21-13-2-3-14(12(7-13)9-26)15-8-11(1-4-16(15)22)17-10-27-19-28-18(20(23,24)25)5-6-29(17)19/h1-8,10H
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1n/an/an/an/an/an/an/an/a



Merck Sharp Laboratory

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro15-1788 from human recombinant GABAA alpha2 in combination with beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM25878
PNG
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 ex...


Bioorg Med Chem Lett 10: 1381-4 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50418472
PNG
(CHEMBL1783271)
Show SMILES COc1ccc(OC)c(c1)-c1c(F)ccc2c(N)c(nnc12)C(=O)NC1CC1
Show InChI InChI=1S/C20H19FN4O3/c1-27-11-5-8-15(28-2)13(9-11)16-14(21)7-6-12-17(22)19(25-24-18(12)16)20(26)23-10-3-4-10/h5-10H,3-4H2,1-2H3,(H2,22,24)(H,23,26)
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1.15n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2beta3gamma2 receptor expressed in Sf9 cells after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50007552
PNG
(6-Methoxy-4-methoxymethyl-9H-beta-carboline-3-carb...)
Show SMILES CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c2c1COC
Show InChI InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,18H,4,9H2,1-3H3
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1.19n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity measured using LtK- cell membranes expressing GABA alpha2-beta3-gamma2 receptor


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50007554
PNG
(4-Methoxymethyl-6-propoxy-9H-beta-carboline-3-carb...)
Show SMILES CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1
Show InChI InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50007552
PNG
(6-Methoxy-4-methoxymethyl-9H-beta-carboline-3-carb...)
Show SMILES CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c2c1COC
Show InChI InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,18H,4,9H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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1.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50182467
PNG
(3'-(3-methyl-imidazo[1,2-b][1,2,4]triazin-7-yl)bip...)
Show SMILES Cc1cnn2c(cnc2n1)-c1cccc(c1)-c1ccccc1C#N
Show InChI InChI=1S/C19H13N5/c1-13-11-22-24-18(12-21-19(24)23-13)15-7-4-6-14(9-15)17-8-3-2-5-16(17)10-20/h2-9,11-12H,1H3
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus beta3gamma2 expressed in L(tk-) cells


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50007554
PNG
(4-Methoxymethyl-6-propoxy-9H-beta-carboline-3-carb...)
Show SMILES CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1
Show InChI InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3
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1.21n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity measured using LtK- cell membranes expressing GABA alpha2-beta3-gamma2 receptor


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50034834
PNG
(7-Methoxy-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quin...)
Show SMILES COc1ccc2c3[nH]n(-c4ccccc4)c(=O)c3cnc2c1
Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-13-15(9-12)18-10-14-16(13)19-20(17(14)21)11-5-3-2-4-6-11/h2-10,19H,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)

More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from GABAAalpha2beta3gamma2 receptor


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens-Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes


Citation and Details
More data for this
Ligand-Target Pair
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