BDBM50089762 (3S,5R)-1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-3,5-dicarboxylic acid diethyl ester::CHEMBL285328

SMILES CCOC(=O)[C@H]1C[C@H](CN(C1)C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)OCC

InChI Key InChIKey=RBMPSWHARBABOC-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50089762   

TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50089762((3S,5R)-1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperid...)
Affinity DataKi:  14nMAssay Description:Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50089762((3S,5R)-1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperid...)
Affinity DataKi:  22nMAssay Description:Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 ex...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Human)
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50089762((3S,5R)-1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperid...)
Affinity DataKi:  23nMAssay Description:Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed