BDBM50000102 3-aminopropanoic acidbeta-alanine::Alanine-beta::CHEMBL297569::beta-alanine::beta-aminopropionic acid::omega-aminopropionic acid

SMILES NCCC(O)=O

InChI Key InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N

Data  2 KI  12 IC50

PDB links: 59 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50000102   

TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
TargetProton-coupled amino acid transporter 1(Homo sapiens (Human))
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataKi:  2.40E+6nMAssay Description:Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation countingChecked by AuthorMore data for this Ligand-Target Pair
TargetGlutamate receptor ionotropic, NMDA 1(RAT)
Warner-Lambert Company

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 1.16E+4nMAssay Description:Inhibitory concentration of the compound required to inhibit [3H]-strychnine binding to N-methyl-D-aspartate glutamate receptor 1 of rat spinal cord ...More data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 3(Mus musculus)
Ludwig-Maximilians-University Munich

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 2.19E+4nMAssay Description:Inhibition of mouse GAT3-mediated [3H]GABA uptake expressed in human HEK cellsMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 1(Mus musculus)
Ludwig-Maximilians-University Munich

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 2.57E+6nMAssay Description:Inhibition of mouse GAT1-mediated [3H]GABA uptake expressed in human HEK cellsMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 3(Mus musculus)
Ludwig-Maximilians-University Munich

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 1.10E+5nMAssay Description:Inhibition of mouse GTA4 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium- and chloride-dependent GABA transporter 3(Homo sapiens (Human))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 4.12E+4nMAssay Description:Inhibition of human GAT3 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 2(Homo sapiens (Human))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 2.95E+6nMAssay Description:Inhibition of mouse GTA 1 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium- and chloride-dependent GABA transporter 2(Mus musculus)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 1.10E+6nMAssay Description:Inhibition of mouse GTA 2 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium- and chloride-dependent GABA transporter 2(Mus musculus)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 6.61E+4nMAssay Description:Inhibition of mouse GTA 3 receptorMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium- and chloride-dependent GABA transporter 2(Homo sapiens (Human))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 2.09E+5nMAssay Description:Inhibition of human GAT2 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 3(Homo sapiens (Human))
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 4.12E+4nMAssay Description:Inhibition of human GAT3 transfected in CHO cells assessed as [3H]GABA uptake after 20 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 2(Mus musculus)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50000102(3-aminopropanoic acidbeta-alanine | Alanine-beta |...)
Show SMILES NCCC(O)=O
Show InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Affinity DataIC50: 3.31E+5nMAssay Description:Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cellsMore data for this Ligand-Target Pair