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Compile Data Set for Download or QSAR

Found 280 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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0.310n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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0.410n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM86522
PNG
(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
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0.450n/an/an/an/an/an/an/an/a



ABX advanced biochemical compounds GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from GABAA alpha1 receptor in Sprague-Dawley rat cerebral cortex membrane


Bioorg Med Chem 16: 1184-94 (2008)


Article DOI: 10.1016/j.bmc.2007.10.079
BindingDB Entry DOI: 10.7270/Q2QR4XZZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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0.450n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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0.540n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM86522
PNG
(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
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0.550n/an/an/an/an/an/an/an/a



ABX advanced biochemical compounds GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro15-1788 from GABAA alpha-1 receptor in Sprague-Dawley rat cerebellar membrane


Bioorg Med Chem 16: 1184-94 (2008)


Article DOI: 10.1016/j.bmc.2007.10.079
BindingDB Entry DOI: 10.7270/Q2QR4XZZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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0.550n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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0.700n/an/an/an/an/an/an/an/a



Universidad de Sevilla,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 989-97 (1999)


BindingDB Entry DOI: 10.7270/Q280515N
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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0.800n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha1beta3gamma2 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-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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0.810n/an/an/an/an/an/an/an/a



Universidad de Sevilla,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 989-97 (1999)


BindingDB Entry DOI: 10.7270/Q280515N
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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0.870n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM84740
PNG
(CAS_119194 | Imidazenil | NSC_119194)
Show SMILES NC(=O)c1ncn-2c1CN=C(c1ccccc1Br)c1cc(F)ccc-21 |t:10|
Show InChI InChI=1S/C18H12BrFN4O/c19-13-4-2-1-3-11(13)16-12-7-10(20)5-6-14(12)24-9-23-17(18(21)25)15(24)8-22-16/h1-7,9H,8H2,(H2,21,25)
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0.900n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 266: 1018-28 (1993)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2Q81BK1
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM84740
PNG
(CAS_119194 | Imidazenil | NSC_119194)
Show SMILES NC(=O)c1ncn-2c1CN=C(c1ccccc1Br)c1cc(F)ccc-21 |t:10|
Show InChI InChI=1S/C18H12BrFN4O/c19-13-4-2-1-3-11(13)16-12-7-10(20)5-6-14(12)24-9-23-17(18(21)25)15(24)8-22-16/h1-7,9H,8H2,(H2,21,25)
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1n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 266: 1018-28 (1993)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2Q81BK1
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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1.06n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM86522
PNG
(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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1.20n/an/an/an/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil in rat GABAAalpha1beta3gamma2 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-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM86522
PNG
(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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1.24n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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1.37n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM25878
PNG
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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1.37n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by PDSP Ki Database




Eur J Pharmacol 290: 37-47 (1995)


Article DOI: 10.1016/0922-4106(95)90014-4
BindingDB Entry DOI: 10.7270/Q2XK8D2R
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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1.41n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50017320
PNG
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 266: 1018-28 (1993)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2Q81BK1
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM25878
PNG
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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1.52n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by PDSP Ki Database




Eur J Pharmacol 290: 37-47 (1995)


Article DOI: 10.1016/0922-4106(95)90014-4
BindingDB Entry DOI: 10.7270/Q2XK8D2R
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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)


BindingDB Entry DOI: 10.7270/Q2765CWZ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM86522
PNG
(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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1.88n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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2.04n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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2.20n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50019213
PNG
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 |t:11|
Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
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2.40n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)


Article DOI: 10.1007/bf02245606
BindingDB Entry DOI: 10.7270/Q2610XV6
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50017320
PNG
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3
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2.60n/an/an/an/an/an/an/an/a



Georgetown University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 266: 1018-28 (1993)


Article DOI: 10.1021/acschembio.5b00398
BindingDB Entry DOI: 10.7270/Q2Q81BK1
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Technion-Israel Institute of Technology

Curated by PDSP Ki Database




Life Sci 49: 1155-61 (1991)


Article DOI: 10.1016/0024-3205(91)90562-p
BindingDB Entry DOI: 10.7270/Q2319TC5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Technion-Israel Institute of Technology

Curated by PDSP Ki Database




Life Sci 49: 1155-61 (1991)


Article DOI: 10.1016/0024-3205(91)90562-p
BindingDB Entry DOI: 10.7270/Q2319TC5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Technion-Israel Institute of Technology

Curated by PDSP Ki Database




Life Sci 49: 1155-61 (1991)


Article DOI: 10.1016/0024-3205(91)90562-p
BindingDB Entry DOI: 10.7270/Q2319TC5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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4.10n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 74: 3805-9 (1977)


Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 74: 3805-9 (1977)


Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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4.80n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 74: 3805-9 (1977)


Article DOI: 10.1073/pnas.74.9.3805
BindingDB Entry DOI: 10.7270/Q2Q23XR0
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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5n/an/an/an/an/an/an/an/a



Universidad de Sevilla,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 989-97 (1999)


BindingDB Entry DOI: 10.7270/Q280515N
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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5n/an/an/an/an/an/an/an/a



Universidad de Sevilla

Curated by PDSP Ki Database




J Biol Chem 271: 27902-11 (1996)


BindingDB Entry DOI: 10.7270/Q2FF3QV5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50129952
PNG
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H
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6.17n/an/an/an/an/an/an/an/a



Westfälische Wilhelms-Universitä Muenster,

Curated by PDSP Ki Database




Psychopharmacology (Berl) 162: 193-202 (2002)


Article DOI: 10.1007/s00213-002-1073-7
BindingDB Entry DOI: 10.7270/Q25D8QDD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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6.80n/an/an/an/an/an/an/an/a



Sanofi Synthelabo

Curated by PDSP Ki Database




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


Article DOI: 10.1016/j.bioorg.2016.02.009
BindingDB Entry DOI: 10.7270/Q2KS6Q34
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM50232200
PNG
(CHEMBL4081736)
Show SMILES O=c1c(c[nH]c2c(cnn12)-c1ccccn1)-c1ccsc1
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7n/an/an/an/an/an/an/an/a



University of KwaZulu-Natal

Curated by ChEMBL




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

More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 83: 4918-22 (1986)


Article DOI: 10.1073/pnas.83.13.4918
BindingDB Entry DOI: 10.7270/Q2445K05
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (Rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1 |c:10|
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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7n/an/an/an/an/an/an/an/a



Technion-Israel Institute of Technology

Curated by PDSP Ki Database




Life Sci 49: 1155-61 (1991)


Article DOI: 10.1016/0024-3205(91)90562-p
BindingDB Entry DOI: 10.7270/Q2319TC5
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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9n/an/an/an/an/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha1beta2gamma2 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-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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9.30n/an/an/an/an/an/an/an/a



Universidad de Sevilla,

Curated by PDSP Ki Database




J Pharmacol Exp Ther 290: 989-97 (1999)


BindingDB Entry DOI: 10.7270/Q280515N
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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10.3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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



Universita di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]flumazenil from rat GABA-Aalpha1beta2gamma2 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-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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11.2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 311: 537-46 (2004)


Article DOI: 10.1124/jpet.104.071282
BindingDB Entry DOI: 10.7270/Q2VH5MD8
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)


(Rattus norvegicus (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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12n/an/an/an/an/an/an/an/a



Tokyo Dental College

Curated by PDSP Ki Database




Biochem Pharmacol 55: 209-14 (1998)


Article DOI: 10.1111/cbdd.12497
BindingDB Entry DOI: 10.7270/Q2NP22ZJ
More data for this
Ligand-Target Pair
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