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SMILES: NCCCC(O)=O

InChI Key: InChIKey=BTCSSZJGUNDROE-UHFFFAOYSA-N

PDB links: 79 PDB IDs match this monomer. 551 PDB IDs contain this monomer as substructures. 551 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 108 hits for monomerid = 24183   
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-1


(Rattus norvegicus (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/an/an/a 1.00E+4n/an/an/an/a



Johannes Gutenberg-UniVersity

Curated by ChEMBL


Assay Description
Activity at rat wild type GABAAalpha1beta2 receptor expressed in Xenopus laevis oocytes at -60 mV by Two-Electrode voltage clamp method


J Med Chem 51: 4430-48 (2008)


Article DOI: 10.1021/jm701562x
BindingDB Entry DOI: 10.7270/Q2FF3S6G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (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)
PDB

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n/an/a 30n/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of Gamma-aminobutyric acid type B receptor of rat cortex


J Med Chem 38: 3287-96 (1995)


BindingDB Entry DOI: 10.7270/Q2B858S0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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 2.50E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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 2.60E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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)
PDB

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n/an/a 2.75E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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 2.60E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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 2.88E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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 2.60E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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 1.80E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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)
PDB

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n/an/a 1.80E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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)
PDB

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n/an/a 2.88E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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)
PDB

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n/an/a 2.88E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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)
PDB

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n/an/a 2.88E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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)
PDB

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n/an/a 2.88E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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)
PDB

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n/an/a 1.80E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(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)
PDB

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n/an/a 2.73E+3n/an/an/an/an/an/a



Budapest University of Technology and Economics

Curated by ChEMBL


Assay Description
H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determined


J Med Chem 47: 5620-9 (2004)


Article DOI: 10.1021/jm040809c
BindingDB Entry DOI: 10.7270/Q2TX3G43
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2


(Homo sapiens (Human))
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)
PDB

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n/an/an/an/a 530n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Agonist activity at human GABA-B B1/B2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 3 hr...


J Med Chem 56: 2456-65 (2013)


Article DOI: 10.1021/jm301805e
BindingDB Entry DOI: 10.7270/Q25T3MTS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
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)
PDB

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n/an/an/an/a 270n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human GABAA rho1 receptor expressed in TSA201 cells after 1 min by FLIPR assay


J Med Chem 56: 993-1006 (2013)


Article DOI: 10.1021/jm301473k
BindingDB Entry DOI: 10.7270/Q2W37XMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Mus musculus)
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)
PDB

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n/an/a 5.00E+3n/an/an/an/an/an/a



Ludwig Maximilians University at Munich

Curated by ChEMBL


Assay Description
Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysis


J Med Chem 56: 1323-40 (2013)


Article DOI: 10.1021/jm301800j
BindingDB Entry DOI: 10.7270/Q2CZ38HV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
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)
PDB

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n/an/an/an/a 1.00E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at GABAC rho1 receptor (unknown origin)


ACS Med Chem Lett 4: 402-7 (2013)


Article DOI: 10.1021/ml300476v
BindingDB Entry DOI: 10.7270/Q27H1KXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
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)
PDB

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n/an/an/an/a 1.19E+3n/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GABAc rho1 receptor expressed in Xenopus laevis oocytes at -60mV by two-electrode voltage clamp method


Bioorg Med Chem Lett 18: 402-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.019
BindingDB Entry DOI: 10.7270/Q2TT4RTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(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 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro effect on GABA uptake in a crude preparation of synaptosomes from rat brain.


J Med Chem 26: 895-900 (1983)


BindingDB Entry DOI: 10.7270/Q2P84CGX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(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 3.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of GABA uptake in rat brain synaptic membranes


J Med Chem 28: 1612-7 (1985)


BindingDB Entry DOI: 10.7270/Q2PN94NZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (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 40n/an/an/an/an/an/a



Laboratoire de Pharmacie Chimique, Facult� de Pharmacie, Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


J Med Chem 34: 2557-60 (1991)


BindingDB Entry DOI: 10.7270/Q2GQ6ZC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (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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Article
n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-GABA from Gamma-aminobutyric acid type B receptor sites in rat brain membranes


Bioorg Med Chem Lett 3: 515-518 (1993)


Article DOI: 10.1016/S0960-894X(01)81218-X
BindingDB Entry DOI: 10.7270/Q2BR8S4N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (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 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]baclofen from Gamma-aminobutyric acid type B receptor of rat brain membranes


J Med Chem 30: 743-6 (1987)


BindingDB Entry DOI: 10.7270/Q22V2GPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter


(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 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane


J Med Chem 25: 1157-62 (1982)


BindingDB Entry DOI: 10.7270/Q2FF3VK7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
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 3.00E+3n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human GAT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
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 1.78E+4n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
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 1.77E+4n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
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 3.31E+3n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human GAT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
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 1.81E+5n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1/human GAT3 chimera C expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
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 1.66E+5n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1/human GAT3 chimera C expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
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 2.75E+4n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1/human GAT3 chimera B expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
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 2.75E+4n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1/human GAT3 chimera B expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
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 3.89E+3n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1/human GAT3 chimera D expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
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 3.89E+3n/an/an/an/an/an/a



Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark.

Curated by ChEMBL


Assay Description
Inhibition of human BGT1/human GAT3 chimera D expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(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 7.24E+3n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis


Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 3


(Mus musculus)
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 1.15E+4n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis


Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2


(Mus musculus)
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 2.75E+4n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis


Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
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/an/an/a 3.70E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GABA-A alpha1beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
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/an/an/a 3.80E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GABA-A alpha1beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 2


(Homo sapiens (Human))
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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Article
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3


(Homo sapiens (Human))
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 1.10E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT3 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2


(Homo sapiens (Human))
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/an/an/a 3.72E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GABA-A alpha4beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
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/an/an/a 339n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GABA-A rho-1 receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 90 s...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1


(Homo sapiens (Human))
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 1.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium- and chloride-dependent betaine transporter


(Homo sapiens (Human))
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 1.00E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 expressed in Flp-In CHO cells assessed as reduction in [3H]GABA uptake incubated for 3 mins by liquid scintillation counting...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit rho-1


(Homo sapiens (Human))
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)
PDB

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n/an/an/an/a 340n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GABA-A rho-1 receptor transiently expressed in human tsA201 cells incubated for 30 mins and measured up to 90 s...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2


(Homo sapiens (Human))
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)
PDB

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n/an/an/an/a 230n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GABA-A alpha5beta2gamma2S receptor transiently expressed in human tsA201 cells incubated for 30 mins and measur...


J Med Chem 62: 5797-5809 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00026
BindingDB Entry DOI: 10.7270/Q2D2222H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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