BDBM50003624 (RS)-nipecotic acid::CHEMBL277498::Nipecotic::Piperidine-3-carboxylic acid::Piperidine-3-carboxylic acid (6)::Piperidine-3-carboxylic acid(nipecotic acid)

SMILES OC(=O)C1CCCNC1

InChI Key InChIKey=XJLSEXAGTJCILF-UHFFFAOYSA-N

Data  5 KI  18 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50003624   

TargetSiderophore-binding protein(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze

LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataKi:  110nM ΔG°:  -9.49kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze

LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataKi:  4.89E+3nM ΔG°:  -7.24kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Mycobacterium tuberculosis)
Universit?? Degli Studi Di Firenze

LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataKi:  5.27E+3nM ΔG°:  -7.20kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-aminobutyric acid type B receptor subunit 1(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataKi:  5.82E+4nMAssay Description:Displacement of NO 711 from mouse GAT1 expressed in HEK293 cell membranes after 40 mins by LC-ESI-MS-MS-based MS binding assayMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 2(Mus musculus)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  7.96E+5nMAssay Description:Inhibition of mouse GAT2 expressed in HEK293 cells assessed as [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA/unlabeled GABA addition ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 1(Homo sapiens (Human))
Ludwig-Maximilians-University M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of human GAT1 expressed in COS cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 3(Mus musculus)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  1.98E+4nMAssay Description:Inhibition of mouse GAT4 expressed in HEK293 cells assessed as [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA/unlabeled GABA addition ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 3(Homo sapiens (Human))
Zentrum F£R Pharmaforschung

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  1.10E+5nMAssay Description:Binding affinity to GAT3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 2(Homo sapiens (Human))
Zentrum F£R Pharmaforschung

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  6.60E+4nMAssay Description:Binding affinity to GAT2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  10nMAssay Description:Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECAMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 1(Mus musculus)
Ludwig Maximilians University At Munich

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibition of [3H]GABA uptake at mouse GAT1 expressed in HEK293 cells after 25 mins by scintillation counting analysisMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid type B receptor subunit 1/2(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50: >1.00E+5nMAssay Description:Displacement of [3H]-baclofen from Gamma-aminobutyric acid type B receptor in rat brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent betaine transporter(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 2(Mus musculus)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  5.25E+5nMAssay Description:Inhibition of mouse GAT2 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 3(Mus musculus)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  1.95E+4nMAssay Description:Inhibition of mouse GAT3 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  8.51E+3nMAssay Description:Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 1(Rattus norvegicus)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  1.33E+4nMAssay Description:Inhibition of mouse GAT1 expressed in HEK293 cells assessed as [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA/unlabeled GABA addition ...More data for this Ligand-Target Pair
TargetSodium- and chloride-dependent betaine transporter(Homo sapiens (Human))
Synaptic Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  2.37E+6nMAssay Description:Inhibition of human GABA transporter (hBGT-1) activity.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 3(Homo sapiens (Human))
Zentrum F£R Pharmaforschung

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  1.06E+5nMAssay Description:Inhibitory activity against human sodium and chloride dependent GABA transporter 3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 1(Homo sapiens (Human))
Ludwig-Maximilians-University M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  8.00E+3nMAssay Description:Inhibitory activity against human GABA transporter-1 (hGAT1)More data for this Ligand-Target Pair
TargetSodium- and chloride-dependent GABA transporter 2(Rattus norvegicus)
Synaptic Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  3.90E+4nMAssay Description:Inhibitory activity against rat GABA transporter-2 (rGAT2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium- and chloride-dependent GABA transporter 3(Mus musculus)
Ludwig-Maximilians-Universit£T M£Nchen

Curated by ChEMBL
LigandPNGBDBM50003624((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...)
Affinity DataIC50:  2.30E+4nMAssay Description:Inhibition of mouse GAT3 expressed in HEK293 cells assessed as [3H]GABA uptake preincubated for 25 mins followed by [3H]GABA/unlabeled GABA addition ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed