BindingDB BDBM24183 4-amino-n-[2,3-3H]butyric acid::4-aminobutanoic acid::Aminalon::CHEMBL96::GABA::Gamma-Aminobutyric acid::[3H]GABA::cid

BDBM24183 4-amino-n-[2,3-3H]butyric acid::4-aminobutanoic acid::Aminalon::CHEMBL96::GABA::Gamma-Aminobutyric acid::[3H]GABA::cid_119

SMILES NCCCC(O)=O

InChI Key InChIKey=BTCSSZJGUNDROE-UHFFFAOYSA-N

Data 19 KI 56 IC50 1 Kd 32 EC50

PDB links: 80 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 24183

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 2.50E+3nMAssay Description:H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compoundMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 2.60E+3nMAssay Description:H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determinedMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 2.75E+3nMAssay Description:H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determinedMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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Details Article PubMed PDB

3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 2.88E+3nMAssay Description:H-bonding interaction between amino acid residue (Ser-133) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determinedMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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Details Article PubMed PDB

3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed PDB

3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 1.80E+3nMAssay Description:H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compoundMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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Details Article PubMed PDB

3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 1.80E+3nMAssay Description:H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compoundMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

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Details Article PubMed PDB

3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 2.88E+3nMAssay Description:H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compoundMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed PDB

3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed PDB

3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 2.88E+3nMAssay Description:H-bonding interaction between amino acid residue (Thr-89) of Sodium- and chloride-dependent GABA transporter 1TM2 and compoundMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
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Details Article PubMed PDB

3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 1.80E+3nMAssay Description:H-bonding interaction between amino acid residue (Asn-137) of Sodium- and chloride-dependent GABA transporter 1TM3 and compoundMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar

Purchase ChEBI
CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB Patents Similars

Details Article PubMed PDB

3D Structure (crystal)

Sodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Budapest University Of Technology And Economics

Curated by ChEMBL

BDBM24183(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)

IC50: 2.73E+3nMAssay Description:H-bonding interaction between amino acid residue (Tyr-140) of Sodium- and chloride-dependent GABA transporter 1TM3 and compound was determinedMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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3D Structure (crystal)

Filter my 108 hits

Targets 36▿
- Sodium- and chloride-dependent GABA transporter 1 24
- Sodium- and chloride-dependent betaine transporter 10
- Gamma-aminobutyric acid type B receptor subunit 1/2 8
- Gamma-aminobutyric acid receptor subunit rho-1 8
- Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 6
- Sodium- and chloride-dependent GABA transporter 3 5
- Sodium- and chloride-dependent GABA transporter 2 5
- Gamma-aminobutyric acid receptor subunit alpha-1 4
- Gamma-aminobutyric acid type B receptor subunit 1 3
- Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter 3
- Gamma-aminobutyric acid receptor subunit alpha-2 2
- Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 2
- Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 2
- Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2 2
- 5-hydroxytryptamine receptor 7 2
- Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2 2
- Histone deacetylase 1
- Gamma-aminobutyric acid receptor subunit alpha-5 1
- Gamma-aminobutyric acid receptor subunit alpha-6 1
- Sigma non-opioid intracellular receptor 1 1
- Gamma-aminobutyric acid receptor subunit alpha-3 1
- Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 1
- GABA A receptor alpha-4/beta-3/gamma-2 1
- CB1 cannabinoid receptor-interacting protein 1 1
- Gamma-aminobutyric acid receptor subunit rho-3 1
- GABA-A receptor; alpha-5/beta-3/gamma-2 1
- Proton-coupled amino acid transporter 1 1
- Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2 1
- Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 1
- Cannabinoid receptor 1 1
- Gamma-aminobutyric acid receptor subunit gamma-1 1
- D(2) dopamine receptor 1
- GABA-A receptor; alpha-2/beta-3/gamma-2 1
- D(1A) dopamine receptor 1
- Heat shock factor protein 1 1
- Platelet glycoprotein VI 1
- ...
Publications 42▿
- J Med Chem 47: 5620-9 (2004) 14
- J Med Chem 62: 5797-5809 (2019) 12
- J Med Chem 60: 8834-8846 (2017) 10
- Eur J Med Chem 84: 404-16 (2014) 8
- Mol Pharmacol 52: 1150-6 (1997) 7
- Bioorg Med Chem Lett 11: 1573-7 (2001) 6
- J Med Chem 37: 2334-42 (1994) 4
- Eur J Med Chem 46: 1483-98 (2011) 3
- Eur J Med Chem 188: (2020) 3
- Bioorg Med Chem 21: 3363-78 (2013) 3
- Life Sci 19: 69-76 (1976) 2
- J Med Chem 28: 1612-7 (1985) 2
- Life Sci 35: 1885-93 (1984) 2
- J Med Chem 38: 3297-312 (1995) 2
- J Med Chem 51: 3825-40 (2008) 2
- Brain Res 753: 219-24 (1997) 2
- PubChem Bioassay (2010) 1
- J Med Chem 56: 2456-65 (2013) 1
- J Med Chem 50: 4147-61 (2007) 1
- Mol Pharmacol 58: 1375-80 (2000) 1
- J Med Chem 56: 993-1006 (2013) 1
- J Med Chem 25: 1157-62 (1982) 1
- Bioorg Med Chem 23: 6757-62 (2015) 1
- J Med Chem 29: 125-32 (1986) 1
- Bioorg Med Chem Lett 3: 515-518 (1993) 1
- Bioorg Med Chem 17: 5219-28 (2009) 1
- J Neurochem 32: 713-8 (1979) 1
- J Med Chem 30: 743-6 (1987) 1
- ACS Med Chem Lett 4: 402-7 (2013) 1
- Bioorg Med Chem 27: 2753-2763 (2019) 1
- J Med Chem 56: 1323-40 (2013) 1
- J Med Chem 63: 12213-12242 (2020) 1
- J Med Chem 51: 4430-48 (2008) 1
- J Med Chem 38: 3287-96 (1995) 1
- Bioorg Med Chem 27: 1232-1245 (2019) 1
- J Med Chem 34: 2557-60 (1991) 1
- Proc Natl Acad Sci U S A 81: 4983-7 (1984) 1
- J Med Chem 33: 71-7 (1990) 1
- J Med Chem 26: 895-900 (1983) 1
- Bioorg Med Chem Lett 18: 402-4 (2008) 1
- Eur J Pharmacol 329: 223-9 (1997) 1
- Bioorg Med Chem 19: 6409-18 (2011) 1
Institutions 28▿
- University Of Copenhagen 22
- Budapest University Of Technology And Economics 14
- TBA 11
- University of Copenhagen 10
- Merck Sharp and Dohme Research Laboratories 7
- Ludwig-Maximilians-University Munich 6
- The Royal Danish School Of Pharmacy 6
- Synaptic Pharmaceutical 4
- Jagiellonian University Medical College 3
- Schering-Plough 2
- Royal Danish School Of Pharmacy 2
- The University Of Sydney 2
- University Of Sydney 2
- State University of New York At Old Westbury 2
- Ciba-Geigy 2
- Purdue University 1
- University Of Graz 1
- Martin-Luther-University Halle-Wittenberg 1
- University Of Leeds 1
- Laboratoire De Pharmacie Chimique, Facult� 1
- Ludwig Maximilians-Universit£T M£Nchen 1
- Broad Institute 1
- Hacettepe University 1
- University of Alabama At Birmingham 1
- Johannes Gutenberg University 1
- University of Sydney 1
- Ludwig Maximilians University At Munich 1
- Ludwig-Maximilians-University M£Nchen 1
Affinity: 8.7 to 4.0E+6 nM▿
- Ki 19
- IC50 56
- Kd 1
- EC50 32
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1