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Compile Data Set for Download or QSAR

Found 285 hits Enz. Inhib. hit(s) with Target = 'Benzodiazepine receptors'   
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 receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50021185
PNG
(5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL42...)
Show SMILES NC[C@@H]1CC(O)=NO1
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)

More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


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


TBA

Assay Description
Anxiolytic activity by displacement of [3H]diazepam from GABA-A receptor in rat synaptosomal membranes


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM23183
PNG
(5-(aminomethyl)-1,2-oxazol-3-ol | Agarin | CHEMBL2...)
Show SMILES NCc1cc(=O)[nH]o1
Show InChI InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)

More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50018800
PNG
(4-tert-Butyl-1-(4-ethynyl-phenyl)-2,6,7-trioxa-bic...)
Show InChI InChI=1S/C18H19NO3/c1-5-13-6-8-14(9-7-13)18-20-11-17(12-21-18,16(2,3)4)15(10-19)22-18/h1,6-9,15H,11-12H2,2-4H3
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n/an/a 25n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GABA-stimulated 36Cl- uptakeby membrane vesicles of rat cerebral cortex


J Med Chem 31: 1064-6 (1988)

More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
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 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)

More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50018801
PNG
(4-(4-tert-Butyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-y...)
Show SMILES CC(C)(C)C12COC(OC1)(OC2)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H19NO3/c1-14(2,3)15-9-18-16(19-10-15,20-11-15)13-6-4-12(8-17)5-7-13/h4-7H,9-11H2,1-3H3
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n/an/a 40n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of GABA-stimulated 36Cl- uptake by membrane vesicles of rat cerebral cortex


J Med Chem 31: 1064-6 (1988)

More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50021189
PNG
(5-Aminomethyl-4,5-dihydro-isoxazol-3-ol | CHEMBL40...)
Show SMILES NC[C@H]1CC(O)=NO1
Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)

More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50021186
PNG
(4-Amino-3-hydroxy-butyric acid | CHEMBL296263 | S(...)
Show SMILES NC[C@@H](O)CC(O)=O
Show InChI InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)

More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]muscimol binding to Gamma-aminobutyric acid (GABA-A) receptor


J Med Chem 29: 359-69 (1986)

More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50454526
PNG
(CHEMBL3138293)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C#Cc1ccc(C=O)cc1
Show InChI InChI=1S/C30H38O3/c1-20(32)25-10-11-26-24-9-8-23-18-30(33,15-12-21-4-6-22(19-31)7-5-21)17-16-28(23,2)27(24)13-14-29(25,26)3/h4-7,19,23-27,33H,8-11,13-14,16-18H2,1-3H3/t23-,24+,25-,26+,27+,28+,29-,30-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro for inhibition of [35S]TBPS binding in rat brain cortical membranes in the presence of 5 uM GABA in two-component inhibition curve


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50000693
PNG
((R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxol...)
Show SMILES CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Percent displacement of [3H]-GABA at Gamma-aminobutyric-acid receptor in rat brain membranes at 0.01 uM


J Med Chem 23: 1142-4 (1980)

More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50055953
PNG
(1-[(3R,5R,10S,13S,17S)-3-Hydroxy-3-(2-hydroxy-phen...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CC[C@]4(C)[C@H]3CC[C@]12C)C#Cc1ccccc1O
Show InChI InChI=1S/C29H38O3/c1-19(30)23-10-11-24-22-9-8-21-18-29(32,15-12-20-6-4-5-7-26(20)31)17-16-27(21,2)25(22)13-14-28(23,24)3/h4-7,21-25,31-32H,8-11,13-14,16-18H2,1-3H3/t21-,22+,23-,24+,25+,27+,28-,29-/m1/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of [35S]-TBPS binding to Gamma-aminobutyric acid A receptor in rat brain cortical membranes in the presence of 5 uM GABA (low aff...


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


(Rattus norvegicus (Rat))
BDBM50273004
PNG
(5-Piperidin-4-yl-3H-[1,3,4]oxadiazol-2-thione Hydr...)
Show SMILES Sc1nnc(o1)C1CCNCC1
Show InChI InChI=1S/C7H11N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h5,8H,1-4H2,(H,10,12)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Johannes Gutenberg-UniVersity

Curated by ChEMBL


Assay Description
Agonist activity at rat wild type GABAAalpha1beta2 receptor expressed in Xenopus laevis oocytes as inhibition of GABA-induced current at -60 mV by Tw...


Citation and Details
More data for this
Ligand-Target Pair
GABA receptor gamma-1 subunit


(Rattus norvegicus)
BDBM50021262
PNG
(4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-5-ium-3-...)
Show SMILES O=c1[n-]oc2CC[NH2+]Cc12
Show InChI InChI=1S/C6H8N2O2/c9-6-4-3-7-2-1-5(4)10-8-6/h7H,1-3H2,(H,8,9)
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n/an/a 7.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity for GABA binding sites on purified synaptic membranes from rat brain


J Med Chem 26: 895-900 (1983)

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
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




Citation and Details
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
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




Citation and Details
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
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




Citation and Details
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
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




Citation and Details
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


Citation and Details
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




Citation and Details
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


Citation and Details
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
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




Citation and Details
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)

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


Citation and Details
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)

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




Citation and Details
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
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




Citation and Details
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
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




Citation and Details
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




Citation and Details
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




Citation and Details
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




Citation and Details
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


Citation and Details
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
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




Citation and Details
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
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)

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




Citation and Details
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




Citation and Details
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




Citation and Details
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)

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
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)

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




Citation and Details
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




Citation and Details
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




Citation and Details
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




Citation and Details
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
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)

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




Citation and Details
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)

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
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)

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
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)

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
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)

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)

More data for this
Ligand-Target Pair
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