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PubMed code 20646926

Compile data set for download or QSAR
Found 13 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


(Homo sapiens (Human))
BDBM50034839
PNG
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H14ClN3O3/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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Article
PubMed
6.80n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha1beta2gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50034839
PNG
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H14ClN3O3/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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PubMed
9.20n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha3beta2gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50034839
PNG
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H14ClN3O3/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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PubMed
16.3n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha2beta2gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034820
PNG
(8-Chloro-3-methoxymethyl-5-methyl-4,5-dihydro-2,5,...)
Show SMILES COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3
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PubMed
38.8n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha4beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034820
PNG
(8-Chloro-3-methoxymethyl-5-methyl-4,5-dihydro-2,5,...)
Show SMILES COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3
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PubMed
>300n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha2beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034820
PNG
(8-Chloro-3-methoxymethyl-5-methyl-4,5-dihydro-2,5,...)
Show SMILES COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3
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PubMed
>300n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha3beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034820
PNG
(8-Chloro-3-methoxymethyl-5-methyl-4,5-dihydro-2,5,...)
Show SMILES COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3
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PubMed
>300n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha1beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034820
PNG
(8-Chloro-3-methoxymethyl-5-methyl-4,5-dihydro-2,5,...)
Show SMILES COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3
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PubMed
>300n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha5beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034826
PNG
(3-Acetyl-8-chloro-5-methyl-4,5-dihydro-2,5,10b-tri...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(C)=O
Show InChI InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3
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PubMed
2.61E+3n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha4beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034826
PNG
(3-Acetyl-8-chloro-5-methyl-4,5-dihydro-2,5,10b-tri...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(C)=O
Show InChI InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3
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PubMed
1.75E+4n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha1beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034826
PNG
(3-Acetyl-8-chloro-5-methyl-4,5-dihydro-2,5,10b-tri...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(C)=O
Show InChI InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3
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PubMed
2.21E+4n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha3beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034826
PNG
(3-Acetyl-8-chloro-5-methyl-4,5-dihydro-2,5,10b-tri...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(C)=O
Show InChI InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3
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PubMed
2.95E+4n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha5beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034826
PNG
(3-Acetyl-8-chloro-5-methyl-4,5-dihydro-2,5,10b-tri...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(C)=O
Show InChI InChI=1S/C14H12ClN3O2/c1-8(19)13-12-6-17(2)14(20)10-5-9(15)3-4-11(10)18(12)7-16-13/h3-5,7H,6H2,1-2H3
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PubMed
3.38E+4n/an/an/an/an/an/an/an/a



University of Massachusetts

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GABA alpha2beta3gamma2 receptor


Bioorg Med Chem 18: 7731-8 (2010)


Article DOI: 10.1016/j.bmc.2010.05.056
BindingDB Entry DOI: 10.7270/Q21R6QRB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%