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Compile Data Set for Download or QSAR

Found 19 hits of ic50 for UniProtKB: P31644   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50290077
PNG
(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Receptor binding affinity was determined in a radioligand binding assay against [125I]ET1 with recombinant human ETA receptor, expressed in baculovir...

Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))		BDBM50290077
PNG
(CHEMBL73416 | N-[2-(4-Chloro-phenyl)-imidazo[1,2-a...)
Show SMILES CCCC(=O)N(C)Cc1c(nc2ccccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H20ClN3O/c1-3-6-18(24)22(2)13-16-19(14-8-10-15(20)11-9-14)21-17-7-4-5-12-23(16)17/h4-5,7-12H,3,6,13H2,1-2H3
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n/an/a 4.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-5 subunit in spinal cord

Bioorg Med Chem Lett 7: 2277-2282 (1997)


Article DOI: 10.1016/S0960-894X(97)00404-6
BindingDB Entry DOI: 10.7270/Q2BK1CB0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))		BDBM126721
PNG
(US8778932, 36)
Show SMILES CC1=NN=C(c2cc3ccc(F)cc3s2)c2cc3oc(=O)[nH]c3cc2C1 |t:1,3|
Show InChI InChI=1S/C19H12FN3O2S/c1-9-4-11-5-14-15(25-19(24)21-14)8-13(11)18(23-22-9)17-6-10-2-3-12(20)7-16(10)26-17/h2-3,5-8H,4H2,1H3,(H,21,24)
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n/an/a 100n/an/an/an/an/an/a



Les Laboratoires Servier; Egis Gyogyszergyar Nyrt

US Patent


Assay Description
The compounds are tested on HEK-293 (Human Embryonic Kidney) cells stably expressing the subunit α5 of the human GABAA receptor, and also the su...

US Patent US8778932 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S2X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))		BDBM126717
PNG
(US8778932, 6)
Show SMILES CC1=NN=C(c2cc3ccccc3s2)c2cc3oc(=O)[nH]c3cc2C1 |t:1,3|
Show InChI InChI=1S/C19H13N3O2S/c1-10-6-12-7-14-15(24-19(23)20-14)9-13(12)18(22-21-10)17-8-11-4-2-3-5-16(11)25-17/h2-5,7-9H,6H2,1H3,(H,20,23)
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n/an/a 130n/an/an/an/an/an/a



Les Laboratoires Servier; Egis Gyogyszergyar Nyrt

US Patent


Assay Description
The compounds are tested on HEK-293 (Human Embryonic Kidney) cells stably expressing the subunit α5 of the human GABAA receptor, and also the su...

US Patent US8778932 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S2X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))		BDBM50608946
PNG
(CHEMBL2008708)		PDB

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n/an/a 200n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))		BDBM126719
PNG
(US8778932, 21)
Show SMILES CC1=NN=C(c2cc3c(F)cccc3s2)c2cc3oc(=O)[nH]c3cc2C1 |t:1,3|
Show InChI InChI=1S/C19H12FN3O2S/c1-9-5-10-6-14-15(25-19(24)21-14)7-11(10)18(23-22-9)17-8-12-13(20)3-2-4-16(12)26-17/h2-4,6-8H,5H2,1H3,(H,21,24)
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n/an/a 200n/an/an/an/an/an/a



Les Laboratoires Servier; Egis Gyogyszergyar Nyrt

US Patent


Assay Description
The compounds are tested on HEK-293 (Human Embryonic Kidney) cells stably expressing the subunit α5 of the human GABAA receptor, and also the su...

US Patent US8778932 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S2X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))		BDBM126720
PNG
(US8778932, 31)
Show SMILES CC1=NN=C(c2cc3c(cccc3s2)C(F)(F)F)c2cc3oc(=O)[nH]c3cc2C1 |t:1,3|
Show InChI InChI=1S/C20H12F3N3O2S/c1-9-5-10-6-14-15(28-19(27)24-14)7-11(10)18(26-25-9)17-8-12-13(20(21,22)23)3-2-4-16(12)29-17/h2-4,6-8H,5H2,1H3,(H,24,27)
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n/an/a 201n/an/an/an/an/an/a



Jain University

Curated by ChEMBL


Assay Description
Antagonist activity at human GABA-A alpha5 receptor expressed in HEK293 cell membranes assessed as inhibition of GABA-induced response preincubated f...

Eur J Med Chem 138: 1002-1033 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.038
BindingDB Entry DOI: 10.7270/Q2C24ZZC
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-5


(Homo sapiens (Human))		BDBM50608947
PNG
(CHEMBL5281056)		PDB

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n/an/a 240n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))		BDBM126718
PNG
(US8778932, 9)
Show SMILES CC1=NN=C(c2sc3cccc(c3c2Cl)C(F)(F)F)c2cc3oc(=O)[nH]c3cc2C1 |t:1,3|
Show InChI InChI=1S/C20H11ClF3N3O2S/c1-8-5-9-6-12-13(29-19(28)25-12)7-10(9)17(27-26-8)18-16(21)15-11(20(22,23)24)3-2-4-14(15)30-18/h2-4,6-7H,5H2,1H3,(H,25,28)
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n/an/a 250n/an/an/an/an/an/a



Les Laboratoires Servier; Egis Gyogyszergyar Nyrt

US Patent


Assay Description
The compounds are tested on HEK-293 (Human Embryonic Kidney) cells stably expressing the subunit α5 of the human GABAA receptor, and also the su...

US Patent US8778932 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S2X
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))		BDBM126720
PNG
(US8778932, 31)
Show SMILES CC1=NN=C(c2cc3c(cccc3s2)C(F)(F)F)c2cc3oc(=O)[nH]c3cc2C1 |t:1,3|
Show InChI InChI=1S/C20H12F3N3O2S/c1-9-5-10-6-14-15(28-19(27)24-14)7-11(10)18(26-25-9)17-8-12-13(20(21,22)23)3-2-4-16(12)29-17/h2-4,6-8H,5H2,1H3,(H,24,27)
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n/an/a 500n/an/an/an/an/an/a



Les Laboratoires Servier; Egis Gyogyszergyar Nyrt

US Patent


Assay Description
The compounds are tested on HEK-293 (Human Embryonic Kidney) cells stably expressing the subunit α5 of the human GABAA receptor, and also the su...

US Patent US8778932 (2014)


BindingDB Entry DOI: 10.7270/Q2CR5S2X
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-5


(Homo sapiens (Human))		BDBM50329649
PNG
(1-phenylethyl 9H-pyrido[3,4-b]indole-3-carboxylate...)
Show SMILES CC(OC(=O)c1cc2c(cn1)[nH]c1ccccc21)c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c1-13(14-7-3-2-4-8-14)24-20(23)18-11-16-15-9-5-6-10-17(15)22-19(16)12-21-18/h2-13,22H,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))		BDBM50244192
PNG
((3-aminobenzo[b]thiophen-2-yl)(4-chlorophenyl)meth...)
Show SMILES Nc1c(sc2ccccc12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClNOS/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2
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n/an/a 1.00E+3n/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-5


(Homo sapiens (Human))		BDBM50184953
PNG
(A-33903 | CHEMBL204738 | N-(2-oxo-5-phenyl-2,3-dih...)
Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O |t:5|
Show InChI InChI=1S/C17H15N3O2/c1-11(21)18-16-17(22)19-14-10-6-5-9-13(14)15(20-16)12-7-3-2-4-8-12/h2-10,16H,1H3,(H,18,21)(H,19,22)
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n/an/a>1.00E+4n/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-5


(Homo sapiens (Human))		BDBM50244193
PNG
(4-bromo-3,5-dimethyl-1-((4-(3-nitrophenyl)thiazol-...)
Show SMILES Cc1nn(Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c(C)c1Br
Show InChI InChI=1S/C15H13BrN4O2S/c1-9-15(16)10(2)19(18-9)7-14-17-13(8-23-14)11-4-3-5-12(6-11)20(21)22/h3-6,8H,7H2,1-2H3
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n/an/a>1.00E+4n/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-5


(Homo sapiens (Human))		BDBM50244156
PNG
(6,6-dimethyl-3-(methylthio)-1-(3-nitrobenzoyl)-hex...)
Show SMILES CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H21NO4S2/c1-18(2)8-12-14(13(20)9-18)17(24-3)25-16(12)15(21)10-5-4-6-11(7-10)19(22)23/h4-7,12,14,16-17H,8-9H2,1-3H3
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n/an/a>1.00E+4n/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-5


(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>1.00E+4n/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-5


(Homo sapiens (Human))		BDBM50019266
PNG
(1-Methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepi...)
Show SMILES CN1c2ccccc2C(=NCC1=O)c1ccccc1 |c:9|
Show InChI InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
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n/an/a>1.00E+4n/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