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Compile Data Set for Download or QSAR

Found 74 hits of ki for UniProtKB: P19969   
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


(RAT)
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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0.810n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50049735
PNG
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-5,6-dihyd...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C[Si](C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H27N3O3Si/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/h8-9,12,14H,13H2,1-7H3
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0.830n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 488-93 (1997)


BindingDB Entry DOI: 10.7270/Q2PN945P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50049735
PNG
(5-Methyl-6-oxo-8-trimethylsilanylethynyl-5,6-dihyd...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C[Si](C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H27N3O3Si/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/h8-9,12,14H,13H2,1-7H3
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1.03n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 488-93 (1997)


BindingDB Entry DOI: 10.7270/Q2PN945P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
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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1.39n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
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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1.52n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
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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1.79n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50293263
PNG
(2-(5-benzyl-2-hydroxyphenyl)-6-methyl-4H-chromen-4...)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1cc(Cc2ccccc2)ccc1O
Show InChI InChI=1S/C23H18O3/c1-15-7-10-22-18(11-15)21(25)14-23(26-22)19-13-17(8-9-20(19)24)12-16-5-3-2-4-6-16/h2-11,13-14,24H,12H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5713-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.092
BindingDB Entry DOI: 10.7270/Q2CF9Q3Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50293262
PNG
(2-(5-benzyl-2-hydroxyphenyl)-6-methylquinolin-4(1H...)
Show SMILES Cc1ccc2nc(cc(O)c2c1)-c1cc(Cc2ccccc2)ccc1O
Show InChI InChI=1S/C23H19NO2/c1-15-7-9-20-18(11-15)23(26)14-21(24-20)19-13-17(8-10-22(19)25)12-16-5-3-2-4-6-16/h2-11,13-14,25H,12H2,1H3,(H,24,26)
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7.30n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha5beta3gamma2 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 18: 5713-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.092
BindingDB Entry DOI: 10.7270/Q2CF9Q3Z
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50165329
PNG
(8-Chloro-2-(4-methoxy-phenyl)-5H-3,3a,5,9b-tetraaz...)
Show SMILES COc1ccc(cc1)-c1nn2n(c3cc(Cl)ccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)
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7.57n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha5-beta3-gamma2 expressed in HEK293 cells


J Med Chem 48: 2936-43 (2005)


Article DOI: 10.1021/jm0408722
BindingDB Entry DOI: 10.7270/Q2H994QV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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9.80n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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9.80n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5beta3gamma2 receptor expressed in HEK293 cells


J Med Chem 52: 3723-34 (2009)


Article DOI: 10.1021/jm9001154
BindingDB Entry DOI: 10.7270/Q2N58M89
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50165326
PNG
(8-Chloro-2-phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta...)
Show SMILES Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1
Show InChI InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)
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10.3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha5-beta3-gamma2 expressed in HEK293 cells


J Med Chem 48: 2936-43 (2005)


Article DOI: 10.1021/jm0408722
BindingDB Entry DOI: 10.7270/Q2H994QV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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11n/an/an/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL


Assay Description
Displacement of [3H]RO15-1788 from recombinant rat GABAalpha5 receptor expressed in HEK293 cells after 1 hr


Eur J Med Chem 126: 298-352 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.019
BindingDB Entry DOI: 10.7270/Q2S184RN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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11n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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13.4n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50165325
PNG
(2-(4-Methoxy-phenyl)-5H-3,3a,5,9b-tetraaza-cyclope...)
Show SMILES COc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)
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17.2n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha5-beta3-gamma2 expressed in HEK293 cells


J Med Chem 48: 2936-43 (2005)


Article DOI: 10.1021/jm0408722
BindingDB Entry DOI: 10.7270/Q2H994QV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50045050
PNG
(1-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES CC(=O)C1CCC2C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16?,17?,18?,19?,20-,21+/m0/s1
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21n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122840
PNG
(3-(3-Bromo-phenyl)-6-thiophen-3-yl-4H-pyrazolo[1,5...)
Show SMILES Brc1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C16H10BrN3OS/c17-12-3-1-2-10(6-12)13-8-19-20-15(13)18-7-14(16(20)21)11-4-5-22-9-11/h1-9,19H
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22n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50165328
PNG
(2-Phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta[a]naphth...)
Show SMILES O=c1c(nn2n1c1ccccc1[nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)
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24.1n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha5-beta3-gamma2 expressed in HEK293 cells


J Med Chem 48: 2936-43 (2005)


Article DOI: 10.1021/jm0408722
BindingDB Entry DOI: 10.7270/Q2H994QV
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50083882
PNG
(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)C#N |c:9|
Show InChI InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3
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34n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




J Pharmacol Exp Ther 283: 488-93 (1997)


BindingDB Entry DOI: 10.7270/Q2PN945P
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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35n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5beta3gamma2 receptor expressed in HEK293 cells


J Med Chem 52: 3723-34 (2009)


Article DOI: 10.1021/jm9001154
BindingDB Entry DOI: 10.7270/Q2N58M89
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50066949
PNG
((1H-Indol-3-yl)-oxo-acetic acid N'-(4-nitro-phenyl...)
Show SMILES [O-][N+](=O)c1ccc(NNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C16H12N4O4/c21-15(13-9-17-14-4-2-1-3-12(13)14)16(22)19-18-10-5-7-11(8-6-10)20(23)24/h1-9,17-18H,(H,19,22)
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43n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50459892
PNG
(CHEMBL4228824)
Show SMILES CNC(=O)c1ncn-2c1[C@@H](C)N=C(c1ccccc1F)c1cc(ccc-21)C#C |r,t:12|
Show InChI InChI=1S/C22H17FN4O/c1-4-14-9-10-18-16(11-14)19(15-7-5-6-8-17(15)23)26-13(2)21-20(22(28)24-3)25-12-27(18)21/h1,5-13H,2-3H3,(H,24,28)/t13-/m1/s1
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55n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-flunitrazepam from recombinant rat GABAA receptor alpha5beta3gamma2S expressed in HEK293 cell membranes after 90 mins by liquid ...


Bioorg Med Chem Lett 27: 3207-3218 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.073
BindingDB Entry DOI: 10.7270/Q2MC92NR
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50101429
PNG
(2-(1H-Indol-3-yl)-N-(4-nitro-benzyl)-2-oxo-acetami...)
Show SMILES [O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H13N3O4/c21-16(14-10-18-15-4-2-1-3-13(14)15)17(22)19-9-11-5-7-12(8-6-11)20(23)24/h1-8,10,18H,9H2,(H,19,22)
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58n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5beta3gamma2 receptor expressed in HEK293 cells


J Med Chem 52: 3723-34 (2009)


Article DOI: 10.1021/jm9001154
BindingDB Entry DOI: 10.7270/Q2N58M89
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50101429
PNG
(2-(1H-Indol-3-yl)-N-(4-nitro-benzyl)-2-oxo-acetami...)
Show SMILES [O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H13N3O4/c21-16(14-10-18-15-4-2-1-3-13(14)15)17(22)19-9-11-5-7-12(8-6-11)20(23)24/h1-8,10,18H,9H2,(H,19,22)
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58n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50268784
PNG
((R)-N-(2,3-dihydro-1H-inden-1-yl)-2-(5-nitro-1H-in...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)N[C@@H]3CCc4ccccc34)c2c1 |r|
Show InChI InChI=1S/C19H15N3O4/c23-18(15-10-20-16-8-6-12(22(25)26)9-14(15)16)19(24)21-17-7-5-11-3-1-2-4-13(11)17/h1-4,6,8-10,17,20H,5,7H2,(H,21,24)/t17-/m1/s1
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95n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50268784
PNG
((R)-N-(2,3-dihydro-1H-inden-1-yl)-2-(5-nitro-1H-in...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)N[C@@H]3CCc4ccccc34)c2c1 |r|
Show InChI InChI=1S/C19H15N3O4/c23-18(15-10-20-16-8-6-12(22(25)26)9-14(15)16)19(24)21-17-7-5-11-3-1-2-4-13(11)17/h1-4,6,8-10,17,20H,5,7H2,(H,21,24)/t17-/m1/s1
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95n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5beta3gamma2 receptor expressed in HEK293 cells


J Med Chem 52: 3723-34 (2009)


Article DOI: 10.1021/jm9001154
BindingDB Entry DOI: 10.7270/Q2N58M89
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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105n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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117n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50055247
PNG
(CHEMBL75306 | N-(4-Methoxy-benzyl)-2-(5-nitro-1H-i...)
Show SMILES COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
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126n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5beta3gamma2 receptor expressed in HEK293 cells


J Med Chem 52: 3723-34 (2009)


Article DOI: 10.1021/jm9001154
BindingDB Entry DOI: 10.7270/Q2N58M89
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50055247
PNG
(CHEMBL75306 | N-(4-Methoxy-benzyl)-2-(5-nitro-1H-i...)
Show SMILES COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
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126n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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127n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50461578
PNG
(CHEMBL4227819)
Show SMILES FC(F)(F)c1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O
Show InChI InChI=1S/C15H9F3N6O/c16-15(17,18)9-3-1-2-8(6-9)10-7-20-24-13(10)23-22-12(14(24)25)11-4-5-19-21-11/h1-7,23H,(H,19,21)
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144n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method


Bioorg Med Chem 26: 2475-2487 (2018)


Article DOI: 10.1016/j.bmc.2018.04.011
BindingDB Entry DOI: 10.7270/Q2D79F10
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122848
PNG
(3-Naphthalen-1-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccc2ccccc12)-c1ccsc1
Show InChI InChI=1S/C20H13N3OS/c24-20-17(14-8-9-25-12-14)10-21-19-18(11-22-23(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-12,22H
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156n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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157n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50461580
PNG
(CHEMBL4229045)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccc2ccccc12)-c1cc[nH]n1
Show InChI InChI=1S/C18H12N6O/c25-18-16(15-8-9-19-21-15)22-23-17-14(10-20-24(17)18)13-7-3-5-11-4-1-2-6-12(11)13/h1-10,23H,(H,19,21)
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159n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method


Bioorg Med Chem 26: 2475-2487 (2018)


Article DOI: 10.1016/j.bmc.2018.04.011
BindingDB Entry DOI: 10.7270/Q2D79F10
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50055244
PNG
(CHEMBL127135 | N-(4-Fluoro-benzyl)-2-(1H-indol-3-y...)
Show SMILES Fc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C17H13FN2O2/c18-12-7-5-11(6-8-12)9-20-17(22)16(21)14-10-19-15-4-2-1-3-13(14)15/h1-8,10,19H,9H2,(H,20,22)
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163n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5beta3gamma2 receptor expressed in HEK293 cells


J Med Chem 52: 3723-34 (2009)


Article DOI: 10.1021/jm9001154
BindingDB Entry DOI: 10.7270/Q2N58M89
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122843
PNG
(6-Thiophen-3-yl-3-(3-trifluoromethyl-phenyl)-4H-py...)
Show SMILES FC(F)(F)c1cccc(c1)-c1c[nH]n2c1ncc(-c1ccsc1)c2=O
Show InChI InChI=1S/C17H10F3N3OS/c18-17(19,20)12-3-1-2-10(6-12)13-8-22-23-15(13)21-7-14(16(23)24)11-4-5-25-9-11/h1-9,22H
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207n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM85683
PNG
(Co 2-6749 | Co-2-6749 | GMA-839 | WAY-141839)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@](O)(CC[C@H]34)C(F)(F)F)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H31F3O3/c1-19-8-6-14-13-7-9-20(27,21(22,23)24)10-12(13)2-3-15(14)16(19)4-5-17(19)18(26)11-25/h12-17,25,27H,2-11H2,1H3/t12-,13+,14-,15-,16+,17-,19+,20-/m1/s1
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210n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 337-45 (2000)


BindingDB Entry DOI: 10.7270/Q2251GQJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122847
PNG
(3-Pyridin-3-yl-6-thiophen-3-yl-4H-pyrazolo[1,5-a]p...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1cccnc1)-c1ccsc1
Show InChI InChI=1S/C15H10N4OS/c20-15-13(11-3-5-21-9-11)7-17-14-12(8-18-19(14)15)10-2-1-4-16-6-10/h1-9,18H
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210n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM85806
PNG
(6-FLUOR-2-FENYL-9-METHYL-4-(PYRROLIDINE-1-CARBONYL...)
Show SMILES Cn1c2ccc(F)cc2c2c(cn(-c3ccccc3)c(=O)c12)C(=O)N1CCCC1
Show InChI InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
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215n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 753-68 (2001)


BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50122841
PNG
(3-(3H-1lambda*4*-Thiophen-3-yl)-6-thiophen-3-yl-4H...)
Show SMILES O=c1c(cnc2c(c[nH]n12)-c1ccsc1)-c1ccsc1
Show InChI InChI=1S/C14H9N3OS2/c18-14-12(10-2-4-20-8-10)5-15-13-11(6-16-17(13)14)9-1-3-19-7-9/h1-8,16H
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223n/an/an/an/an/an/an/an/a



University of Firenze

Curated by ChEMBL


Assay Description
Binding affinity for recombinant rat GABA-A receptor alpha5-beta3-gamma2 subunits expresssed in HEK 293 cells


J Med Chem 46: 310-3 (2003)


Article DOI: 10.1021/jm020999w
BindingDB Entry DOI: 10.7270/Q2H70F59
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50101427
PNG
((R)-2-(5-nitro-1H-indol-3-yl)-2-oxo-N-(1-phenyleth...)
Show SMILES C[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H15N3O4/c1-11(12-5-3-2-4-6-12)20-18(23)17(22)15-10-19-16-8-7-13(21(24)25)9-14(15)16/h2-11,19H,1H3,(H,20,23)/t11-/m1/s1
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239n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]-flumazenil binding to rat alpha5-beta3-gamma2 GABA-A receptor subunits expressed in HEK293 cells


J Med Chem 44: 2286-97 (2001)


BindingDB Entry DOI: 10.7270/Q2T152WS
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50101427
PNG
((R)-2-(5-nitro-1H-indol-3-yl)-2-oxo-N-(1-phenyleth...)
Show SMILES C[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O)c1ccccc1 |r|
Show InChI InChI=1S/C18H15N3O4/c1-11(12-5-3-2-4-6-12)20-18(23)17(22)15-10-19-16-8-7-13(21(24)25)9-14(15)16/h2-11,19H,1H3,(H,20,23)/t11-/m1/s1
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239n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5beta3gamma2 receptor expressed in HEK293 cells


J Med Chem 52: 3723-34 (2009)


Article DOI: 10.1021/jm9001154
BindingDB Entry DOI: 10.7270/Q2N58M89
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50268893
PNG
((R/S)-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(5...)
Show SMILES COc1ccc2C(CCc2c1)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-28-13-4-5-14-11(8-13)2-6-18(14)22-20(25)19(24)16-10-21-17-7-3-12(23(26)27)9-15(16)17/h3-5,7-10,18,21H,2,6H2,1H3,(H,22,25)
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252n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha5beta3gamma2 receptor expressed in HEK293 cells


J Med Chem 52: 3723-34 (2009)


Article DOI: 10.1021/jm9001154
BindingDB Entry DOI: 10.7270/Q2N58M89
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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333n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50461575
PNG
(CHEMBL4228455)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1ccccc1)-c1cc[nH]n1
Show InChI InChI=1S/C14H10N6O/c21-14-12(11-6-7-15-17-11)18-19-13-10(8-16-20(13)14)9-4-2-1-3-5-9/h1-8,19H,(H,15,17)
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408n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method


Bioorg Med Chem 26: 2475-2487 (2018)


Article DOI: 10.1016/j.bmc.2018.04.011
BindingDB Entry DOI: 10.7270/Q2D79F10
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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447n/an/an/an/an/an/an/an/a



Synthélabo

Curated by PDSP Ki Database




J Biol Chem 274: 13370-4 (1999)


Article DOI: 10.1074/jbc.274.19.13370
BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50206936
PNG
(CHEMBL375367 | N-isopropyl-2-(5-nitro-1H-indol-3-y...)
Show SMILES CC(C)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C13H13N3O4/c1-7(2)15-13(18)12(17)10-6-14-11-4-3-8(16(19)20)5-9(10)11/h3-7,14H,1-2H3,(H,15,18)
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498n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABAA alpha5beta3gamma2 expressed in HEK293 cells


J Med Chem 50: 1627-34 (2007)


Article DOI: 10.1021/jm0607707
BindingDB Entry DOI: 10.7270/Q2K9376Q
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50461574
PNG
(CHEMBL4228009)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccs1)-c1cc[nH]n1
Show InChI InChI=1S/C12H8N6OS/c19-12-10(8-3-4-13-15-8)16-17-11-7(6-14-18(11)12)9-2-1-5-20-9/h1-6,17H,(H,13,15)
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662n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting method


Bioorg Med Chem 26: 2475-2487 (2018)


Article DOI: 10.1016/j.bmc.2018.04.011
BindingDB Entry DOI: 10.7270/Q2D79F10
More data for this
Ligand-Target Pair
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