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BDBM50049736 8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid tert-butyl ester::8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid tert-butyl ester(RY 24)::CHEMBL58757

SMILES: CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C

InChI Key: InChIKey=YTUMMZANIYQNOM-UHFFFAOYSA-N

Data: 23 KI  3 IC50  5 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50049736   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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PubMed
0.400n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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0.400n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for Gamma-aminobutyric-acid A receptor alpha5-beta3-gamma2


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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0.400n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-5-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-5/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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0.400n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro binding affinity for human GABA-A receptor alpha5-beta3-gamma2 subunits expressed in L(tk-) cell membranes


J Med Chem 46: 5567-70 (2003)


Article DOI: 10.1021/jm034164c
BindingDB Entry DOI: 10.7270/Q2R78DNC
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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5.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-6-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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5.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha-6-beta-2-gamma-2 expressed in L(tk-) cell membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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5.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro binding affinity for human GABA-A receptor alpha6-beta3-gamma2 subunits expressed in L(tk-) cell membranes


J Med Chem 46: 5567-70 (2003)


Article DOI: 10.1021/jm034164c
BindingDB Entry DOI: 10.7270/Q2R78DNC
More data for this
Ligand-Target Pair
GABA receptor alpha-6/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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5.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric-acid A receptor alpha6-beta3-gamma2


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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5.10n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-6-beta-3-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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18.7n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-3-beta-3-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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19n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against alpha3-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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19n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha-3-beta-2-gamma-2 expressed in L(tk-) cell membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
GABA receptor alpha-3/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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19n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


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


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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26n/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.


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-2/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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26n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha-2-beta-2-gamma-2 expressed in L(tk-) cell membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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26n/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)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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26.3n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-2-beta-3-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
GABA receptor alpha-2/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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26.3n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro binding affinity for human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cell membranes


J Med Chem 46: 5567-70 (2003)


Article DOI: 10.1021/jm034164c
BindingDB Entry DOI: 10.7270/Q2R78DNC
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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26.9n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-1-beta-3-gamma-2 receptor


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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26.9n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
In vitro binding affinity for human GABA-A receptor alpha1-beta3-gamma2 subunits expressed in L(tk-) cell membranes


J Med Chem 46: 5567-70 (2003)


Article DOI: 10.1021/jm034164c
BindingDB Entry DOI: 10.7270/Q2R78DNC
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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27n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity against alpha1-beta3-gamma2 GABAA/BzR receptor subtype.


J Med Chem 41: 4130-42 (1998)


Article DOI: 10.1021/jm980317y
BindingDB Entry DOI: 10.7270/Q2W37VFJ
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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27n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human GABA-A receptor alpha-1-beta-2-gamma-2 expressed in L(tk-) cell membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
GABA receptor alpha-1/beta-3/gamma-2 subunit


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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27n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-1-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


Article DOI: 10.1021/jm990341r
BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA A receptor alpha-6/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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n/an/an/an/a 5.17E+4n/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Activity at alpha-6-beta-3-gamma-2 GABAA receptor expressed in Xenopus oocytes assessed as inhibition in GABA-induced current by voltage clamp assay


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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n/an/an/an/a 9.80E+3n/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Activity at alpha-5-beta-3-gamma-2 GABAA receptor expressed in Xenopus oocytes assessed as inhibition in GABA-induced current by voltage clamp assay


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
GABA A Alpha4Beta2Gamma2


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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n/an/an/an/a 3.24E+5n/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Activity at alpha-4-beta-3-gamma-2 GABAA receptor expressed in Xenopus oocytes assessed as inhibition in GABA-induced current by voltage clamp assay


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
GABA A receptor alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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n/an/an/an/a 9.55E+4n/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Activity at alpha-2-beta-3-gamma-2 GABAA receptor expressed in Xenopus oocytes assessed as inhibition in GABA-induced current by voltage clamp assay


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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n/an/an/an/a 7.44E+4n/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Activity at GABAA alpha-1-beta-3-gamma-2 receptor expressed in Xenopus oocytes assessed as inhibition of GABA-induced current by voltage clamp assay


J Med Chem 51: 3788-803 (2008)


Article DOI: 10.1021/jm701433b
BindingDB Entry DOI: 10.7270/Q2FQ9XH6
More data for this
Ligand-Target Pair
GABA A receptor alpha-5/beta-3/gamma-2


(RAT)
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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n/an/a 0.600n/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Inhibition of [3H]flunitrazepam binding to high affinity GABA-A receptor of rat hippocampal membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
GABA A receptor alpha-5/beta-3/gamma-2


(RAT)
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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n/an/a 0.330n/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flunitrazepam binding to alpha5 GABA-A receptor of rat hippocampal membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair
GABA A receptor alpha-5/beta-3/gamma-2


(RAT)
BDBM50049736
PNG
(8-Ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tr...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H19N3O3/c1-6-12-7-8-14-13(9-12)17(23)21(5)10-15-16(20-11-22(14)15)18(24)25-19(2,3)4/h1,7-9,11H,10H2,2-5H3
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n/an/a 67n/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flunitrazepam binding to alpha5 GABA-A receptor of rat hippocampal membranes


J Med Chem 39: 1928-34 (1996)


Article DOI: 10.1021/jm950887n
BindingDB Entry DOI: 10.7270/Q2K35SR6
More data for this
Ligand-Target Pair