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Compile Data Set for Download or QSAR

Found 108 hits Enz. Inhib. hit(s) with all data for entry = 50038668   
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-5


(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



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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244227
PNG
(CHEMBL458147 | tert-butyl 7-chloro-4-methyl-5-oxo-...)
Show SMILES Cn1c2c(ncn2c2ccc(Cl)cc2c1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C16H16ClN3O3/c1-16(2,3)23-15(22)12-13-19(4)14(21)10-7-9(17)5-6-11(10)20(13)8-18-12/h5-8H,1-4H3
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0.650n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244195
PNG
(CHEMBL453251 | ethyl 7-chloro-4-methyl-5-oxo-4,5-d...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C14H12ClN3O3/c1-3-21-14(20)11-12-17(2)13(19)9-6-8(15)4-5-10(9)18(12)7-16-11/h4-7H,3H2,1-2H3
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0.850n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244262
PNG
(CHEMBL471978 | ethyl 7-ethynyl-4-methyl-5-oxo-4,5-...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C
Show InChI InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3
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1.68n/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
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50244261
PNG
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-3a,4,5,6-...)
Show SMILES CN1CC2N(CN=C2C(=O)OC(C)(C)C)c2ccc(cc2C1=O)C#C[Si](C)(C)C |c:6|
Show InChI InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3
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2.61n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-4-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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244261
PNG
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-3a,4,5,6-...)
Show SMILES CN1CC2N(CN=C2C(=O)OC(C)(C)C)c2ccc(cc2C1=O)C#C[Si](C)(C)C |c:6|
Show InChI InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3
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2.61n/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
Gamma-aminobutyric acid receptor subunit alpha-6


(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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244195
PNG
(CHEMBL453251 | ethyl 7-chloro-4-methyl-5-oxo-4,5-d...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C14H12ClN3O3/c1-3-21-14(20)11-12-17(2)13(19)9-6-8(15)4-5-10(9)18(12)7-16-11/h4-7H,3H2,1-2H3
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6.80n/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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244228
PNG
(CHEMBL458319 | cyclopropylmethyl 7-chloro-4-methyl...)
Show SMILES Cn1c2c(ncn2c2ccc(Cl)cc2c1=O)C(=O)OCC1CC1
Show InChI InChI=1S/C16H14ClN3O3/c1-19-14-13(16(22)23-7-9-2-3-9)18-8-20(14)12-5-4-10(17)6-11(12)15(19)21/h4-6,8-9H,2-3,7H2,1H3
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9.80n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244263
PNG
(7-ethynyl-4-methyl-5-oxo-4,5-dihydroimidazo[1,5-a]...)
Show SMILES Cn1c2c(ncn2c2ccc(cc2c1=O)C#C)C(=O)OCCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C
Show InChI InChI=1S/C30H20N6O6/c1-5-17-7-9-21-19(13-17)27(37)33(3)25-23(31-15-35(21)25)29(39)41-11-12-42-30(40)24-26-34(4)28(38)20-14-18(6-2)8-10-22(20)36(26)16-32-24/h1-2,7-10,13-16H,11-12H2,3-4H3
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15n/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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244228
PNG
(CHEMBL458319 | cyclopropylmethyl 7-chloro-4-methyl...)
Show SMILES Cn1c2c(ncn2c2ccc(Cl)cc2c1=O)C(=O)OCC1CC1
Show InChI InChI=1S/C16H14ClN3O3/c1-19-14-13(16(22)23-7-9-2-3-9)18-8-20(14)12-5-4-10(17)6-11(12)15(19)21/h4-6,8-9H,2-3,7H2,1H3
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16.4n/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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244227
PNG
(CHEMBL458147 | tert-butyl 7-chloro-4-methyl-5-oxo-...)
Show SMILES Cn1c2c(ncn2c2ccc(Cl)cc2c1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C16H16ClN3O3/c1-16(2,3)23-15(22)12-13-19(4)14(21)10-7-9(17)5-6-11(10)20(13)8-18-12/h5-8H,1-4H3
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17.3n/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
Gamma-aminobutyric acid receptor subunit alpha-3


(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
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50244262
PNG
(CHEMBL471978 | ethyl 7-ethynyl-4-methyl-5-oxo-4,5-...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C
Show InChI InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3
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21.4n/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
Gamma-aminobutyric acid receptor subunit alpha-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
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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244262
PNG
(CHEMBL471978 | ethyl 7-ethynyl-4-methyl-5-oxo-4,5-...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C
Show InChI InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3
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28.4n/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
Gamma-aminobutyric acid receptor subunit alpha-5


(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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39n/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
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM50244261
PNG
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-3a,4,5,6-...)
Show SMILES CN1CC2N(CN=C2C(=O)OC(C)(C)C)c2ccc(cc2C1=O)C#C[Si](C)(C)C |c:6|
Show InChI InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3
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58.6n/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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244196
PNG
(7-chloro-3-(ethoxymethyl)-4-methylimidazo[1,5-a]qu...)
Show SMILES CCOCc1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C14H14ClN3O2/c1-3-20-7-11-13-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3
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83n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM50244262
PNG
(CHEMBL471978 | ethyl 7-ethynyl-4-methyl-5-oxo-4,5-...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C
Show InChI InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3
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>100n/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
Gamma-aminobutyric acid receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50244261
PNG
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-3a,4,5,6-...)
Show SMILES CN1CC2N(CN=C2C(=O)OC(C)(C)C)c2ccc(cc2C1=O)C#C[Si](C)(C)C |c:6|
Show InChI InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3
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143n/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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244230
PNG
(7-chloro-4-methyl-3-pentanoylimidazo[1,5-a]quinazo...)
Show SMILES CCCCC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C16H16ClN3O2/c1-3-4-5-13(21)14-15-19(2)16(22)11-8-10(17)6-7-12(11)20(15)9-18-14/h6-9H,3-5H2,1-2H3
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166n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244232
PNG
(7-chloro-3-ethyl-4-methylimidazo[1,5-a]quinazolin-...)
Show SMILES CCc1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C13H12ClN3O/c1-3-10-12-16(2)13(18)9-6-8(14)4-5-11(9)17(12)7-15-10/h4-7H,3H2,1-2H3
PDB

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182n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244261
PNG
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-3a,4,5,6-...)
Show SMILES CN1CC2N(CN=C2C(=O)OC(C)(C)C)c2ccc(cc2C1=O)C#C[Si](C)(C)C |c:6|
Show InChI InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3
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197n/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
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50244262
PNG
(CHEMBL471978 | ethyl 7-ethynyl-4-methyl-5-oxo-4,5-...)
Show SMILES CCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C
Show InChI InChI=1S/C16H13N3O3/c1-4-10-6-7-12-11(8-10)15(20)18(3)14-13(16(21)22-5-2)17-9-19(12)14/h1,6-9H,5H2,2-3H3
PDB

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198n/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
Gamma-aminobutyric acid receptor subunit alpha-3


(Homo sapiens (Human))
BDBM50244261
PNG
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-3a,4,5,6-...)
Show SMILES CN1CC2N(CN=C2C(=O)OC(C)(C)C)c2ccc(cc2C1=O)C#C[Si](C)(C)C |c:6|
Show InChI InChI=1S/C22H29N3O3Si/c1-22(2,3)28-21(27)19-18-13-24(4)20(26)16-12-15(10-11-29(5,6)7)8-9-17(16)25(18)14-23-19/h8-9,12,18H,13-14H2,1-7H3
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255n/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
Gamma-aminobutyric acid receptor subunit alpha-3


(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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>300n/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
Gamma-aminobutyric acid receptor subunit alpha-4


(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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>300n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-4-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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244231
PNG
(7-chloro-3-(hydroxymethyl)-4-methylimidazo[1,5-a]q...)
Show SMILES Cn1c2c(CO)ncn2c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C12H10ClN3O2/c1-15-11-9(5-17)14-6-16(11)10-3-2-7(13)4-8(10)12(15)18/h2-4,6,17H,5H2,1H3
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>300n/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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244231
PNG
(7-chloro-3-(hydroxymethyl)-4-methylimidazo[1,5-a]q...)
Show SMILES Cn1c2c(CO)ncn2c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C12H10ClN3O2/c1-15-11-9(5-17)14-6-16(11)10-3-2-7(13)4-8(10)12(15)18/h2-4,6,17H,5H2,1H3
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>300n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-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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>300n/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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244260
PNG
(7-chloro-4-methyl-3-pentylimidazo[1,5-a]quinazolin...)
Show SMILES CCCCCc1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C16H18ClN3O/c1-3-4-5-6-13-15-19(2)16(21)12-9-11(17)7-8-14(12)20(15)10-18-13/h7-10H,3-6H2,1-2H3
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369n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244232
PNG
(7-chloro-3-ethyl-4-methylimidazo[1,5-a]quinazolin-...)
Show SMILES CCc1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C13H12ClN3O/c1-3-10-12-16(2)13(18)9-6-8(14)4-5-11(9)17(12)7-15-10/h4-7H,3H2,1-2H3
PDB

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408n/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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244226
PNG
(7-chloro-3-(chloromethyl)-4-methylimidazo[1,5-a]qu...)
Show SMILES Cn1c2c(CCl)ncn2c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C12H9Cl2N3O/c1-16-11-9(5-13)15-6-17(11)10-3-2-7(14)4-8(10)12(16)18/h2-4,6H,5H2,1H3
PDB

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500n/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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244196
PNG
(7-chloro-3-(ethoxymethyl)-4-methylimidazo[1,5-a]qu...)
Show SMILES CCOCc1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C14H14ClN3O2/c1-3-20-7-11-13-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3
PDB

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500n/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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244226
PNG
(7-chloro-3-(chloromethyl)-4-methylimidazo[1,5-a]qu...)
Show SMILES Cn1c2c(CCl)ncn2c2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C12H9Cl2N3O/c1-16-11-9(5-13)15-6-17(11)10-3-2-7(14)4-8(10)12(16)18/h2-4,6H,5H2,1H3
PDB

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500n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-1


(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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920n/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
Gamma-aminobutyric acid receptor subunit alpha-6


(Homo sapiens (Human))
BDBM50244263
PNG
(7-ethynyl-4-methyl-5-oxo-4,5-dihydroimidazo[1,5-a]...)
Show SMILES Cn1c2c(ncn2c2ccc(cc2c1=O)C#C)C(=O)OCCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C
Show InChI InChI=1S/C30H20N6O6/c1-5-17-7-9-21-19(13-17)27(37)33(3)25-23(31-15-35(21)25)29(39)41-11-12-42-30(40)24-26-34(4)28(38)20-14-18(6-2)8-10-22(20)36(26)16-32-24/h1-2,7-10,13-16H,11-12H2,3-4H3
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>1.50E+3n/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
Gamma-aminobutyric acid receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50244263
PNG
(7-ethynyl-4-methyl-5-oxo-4,5-dihydroimidazo[1,5-a]...)
Show SMILES Cn1c2c(ncn2c2ccc(cc2c1=O)C#C)C(=O)OCCOC(=O)c1ncn2c1n(C)c(=O)c1cc(ccc21)C#C
Show InChI InChI=1S/C30H20N6O6/c1-5-17-7-9-21-19(13-17)27(37)33(3)25-23(31-15-35(21)25)29(39)41-11-12-42-30(40)24-26-34(4)28(38)20-14-18(6-2)8-10-22(20)36(26)16-32-24/h1-2,7-10,13-16H,11-12H2,3-4H3
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>1.50E+3n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-4-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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244230
PNG
(7-chloro-4-methyl-3-pentanoylimidazo[1,5-a]quinazo...)
Show SMILES CCCCC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C16H16ClN3O2/c1-3-4-5-13(21)14-15-19(2)16(22)11-8-10(17)6-7-12(11)20(15)9-18-14/h6-9H,3-5H2,1-2H3
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1.58E+3n/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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244260
PNG
(7-chloro-4-methyl-3-pentylimidazo[1,5-a]quinazolin...)
Show SMILES CCCCCc1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C16H18ClN3O/c1-3-4-5-6-13-15-19(2)16(21)12-9-11(17)7-8-14(12)20(15)10-18-13/h7-10H,3-6H2,1-2H3
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2.05E+3n/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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244229
PNG
(3-acetyl-7-chloro-4-methylimidazo[1,5-a]quinazolin...)
Show SMILES CC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C13H10ClN3O2/c1-7(18)11-12-16(2)13(19)9-5-8(14)3-4-10(9)17(12)6-15-11/h3-6H,1-2H3
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2.61E+3n/an/an/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-2-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
Gamma-aminobutyric acid receptor subunit alpha-6


(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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9.00E+3n/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
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50244229
PNG
(3-acetyl-7-chloro-4-methylimidazo[1,5-a]quinazolin...)
Show SMILES CC(=O)c1ncn2c1n(C)c(=O)c1cc(Cl)ccc21
Show InChI InChI=1S/C13H10ClN3O2/c1-7(18)11-12-16(2)13(19)9-5-8(14)3-4-10(9)17(12)6-15-11/h3-6H,1-2H3
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1.75E+4n/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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50244154
PNG
(1-(4-chlorobenzoyl)-6,6-dimethyl-3-(methylthio)-he...)
Show SMILES CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3
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n/an/a 210n/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4513 from GABAA alpha-5-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system


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))
BDBM50244157
PNG
(CHEMBL458317 | N-(4-chlorophenyl)-5-(2-(methylthio...)
Show SMILES CSc1nccc(n1)-c1ccc(s1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O2S3/c1-22-15-17-9-8-12(18-15)13-6-7-14(23-13)24(20,21)19-11-4-2-10(16)3-5-11/h2-9,19H,1H3
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n/an/a 470n/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system


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


(Homo sapiens (Human))
BDBM50244155
PNG
(1-(4-chlorobenzoyl)-3-(methylthio)-hexahydrobenzo[...)
Show SMILES CSC1SC(C2CCCC(=O)C12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClO2S2/c1-20-16-13-11(3-2-4-12(13)18)15(21-16)14(19)9-5-7-10(17)8-6-9/h5-8,11,13,15-16H,2-4H2,1H3
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n/an/a 550n/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4513 from GABAA alpha-5-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system


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))
BDBM50244154
PNG
(1-(4-chlorobenzoyl)-6,6-dimethyl-3-(methylthio)-he...)
Show SMILES CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3
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n/an/a 580n/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system


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))
BDBM50244155
PNG
(1-(4-chlorobenzoyl)-3-(methylthio)-hexahydrobenzo[...)
Show SMILES CSC1SC(C2CCCC(=O)C12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClO2S2/c1-20-16-13-11(3-2-4-12(13)18)15(21-16)14(19)9-5-7-10(17)8-6-9/h5-8,11,13,15-16H,2-4H2,1H3
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n/an/a 580n/an/an/an/an/an/a



Moltech Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system


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
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