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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with Target = 'GABA A alpha2' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
GABA A alpha2


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
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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4.80n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
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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7.80n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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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12.3n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
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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15n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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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18n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha2beta3gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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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19n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha2beta3gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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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41n/an/an/an/an/an/an/an/a



CoCensys, Inc.

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
GABA A alpha2


(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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73n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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
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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85n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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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118n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50293264
PNG
(2-(5-bromo-2-hydroxyphenyl)-6-methylquinolin-4(1H)...)
Show SMILES Cc1ccc2nc(cc(O)c2c1)-c1cc(Br)ccc1O
Show InChI InChI=1S/C16H12BrNO2/c1-9-2-4-13-11(6-9)16(20)8-14(18-13)12-7-10(17)3-5-15(12)19/h2-8,19H,1H3,(H,18,20)
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120n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha2beta3gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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
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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121n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


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



CoCensys, Inc.

Curated by PDSP Ki Database




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

More data for this
Ligand-Target Pair
GABA A alpha2


(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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210n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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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231n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50268787
PNG
((R/S)-2-(5-nitro-1H-indol-3-yl)-N-(5-nitro-2,3-dih...)
Show SMILES [O-][N+](=O)c1ccc2C(CCc2c1)NC(=O)C(=O)c1c[nH]c2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C19H14N4O6/c24-18(15-9-20-16-6-3-12(23(28)29)8-14(15)16)19(25)21-17-5-1-10-7-11(22(26)27)2-4-13(10)17/h2-4,6-9,17,20H,1,5H2,(H,21,25)
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513n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50268892
PNG
((R/S)-2-(1H-indol-3-yl)-N-(5-methoxy-2,3-dihydro-1...)
Show SMILES COc1ccc2C(CCc2c1)NC(=O)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H18N2O3/c1-25-13-7-8-14-12(10-13)6-9-18(14)22-20(24)19(23)16-11-21-17-5-3-2-4-15(16)17/h2-5,7-8,10-11,18,21H,6,9H2,1H3,(H,22,24)
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690n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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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765n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50268786
PNG
((R/S)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5-...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C(=O)C(=O)NC3CCc4cc(F)ccc34)c2c1
Show InChI InChI=1S/C19H14FN3O4/c20-11-2-4-13-10(7-11)1-5-17(13)22-19(25)18(24)15-9-21-16-6-3-12(23(26)27)8-14(15)16/h2-4,6-9,17,21H,1,5H2,(H,22,25)
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810n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50101422
PNG
((R)-2-(1H-indol-3-yl)-2-oxo-N-(1-phenylethyl)aceta...)
Show SMILES C[C@@H](NC(=O)C(=O)c1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C18H16N2O2/c1-12(13-7-3-2-4-8-13)20-18(22)17(21)15-11-19-16-10-6-5-9-14(15)16/h2-12,19H,1H3,(H,20,22)/t12-/m1/s1
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1.55E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(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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1.65E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50055265
PNG
(2-(1H-Indol-3-yl)-N-(4-methoxy-benzyl)-2-oxo-aceta...)
Show SMILES COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)
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1.95E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50101423
PNG
(2-(5-nitro-1H-indol-3-yl)-N-(4-nitrobenzyl)-2-oxoa...)
Show SMILES [O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H12N4O6/c22-16(14-9-18-15-6-5-12(21(26)27)7-13(14)15)17(23)19-8-10-1-3-11(4-2-10)20(24)25/h1-7,9,18H,8H2,(H,19,23)
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2.98E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50268744
PNG
((R)-N-(2,3-dihydro-1H-inden-1-yl)-2-(1H-indol-3-yl...)
Show SMILES O=C(N[C@@H]1CCc2ccccc12)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H16N2O2/c22-18(15-11-20-16-8-4-3-7-14(15)16)19(23)21-17-10-9-12-5-1-2-6-13(12)17/h1-8,11,17,20H,9-10H2,(H,21,23)/t17-/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha2beta2gamma2 receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50044427
PNG
(1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexade...)
Show SMILES C[C@]12N[C@H](Cc3ccc(cc13)N=C=S)c1ccccc21
Show InChI InChI=1S/C17H14N2S/c1-17-14-5-3-2-4-13(14)16(19-17)8-11-6-7-12(18-10-20)9-15(11)17/h2-7,9,16,19H,8H2,1H3/t16-,17-/m1/s1
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6.95E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for invitro inhibition of the displacement of [3H]-mazindol from GABA receptor


J Med Chem 36: 2499-507 (1993)

More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50000663
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12NC(Cc3ccccc13)c1ccccc21
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15?,16-/m0/s1
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4.09E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Tested for invitro inhibition of the displacement of [3H]-mazindol from GABA receptor


J Med Chem 36: 2499-507 (1993)

More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound was measured for [3H]-GABA-uptake from rat synaptosomal membrane


J Med Chem 29: 125-32 (1986)

More data for this
Ligand-Target Pair
GABA A alpha2


(RAT)
BDBM50273002
PNG
(5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...)
Show SMILES NCc1n[nH]c(=O)o1
Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)
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n/an/an/an/a 1.82E+5n/an/an/an/a



Johannes Gutenberg-UniVersity

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant GABAAalpha2beta3gamma2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by wh...


Citation and Details
More data for this
Ligand-Target Pair