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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
β-Carbonic anhydrase 3 (CA 3) (Mycobacterium tuberculosis) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 110 | -9.49 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Università degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ... | J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 4.89E+3 | -7.24 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Università degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ... | J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
β-Carbonic anhydrase 2 (CA 2) (Mycobacterium tuberculosis) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.27E+3 | -7.20 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Università degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ... | J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-aminobutyric acid type B receptor subunit 1 (Rattus norvegicus (Rat)) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by PDSP Ki Database | J Neurochem 32: 713-8 (1979) Article DOI: 10.1111/j.1471-4159.1979.tb04553.x BindingDB Entry DOI: 10.7270/Q29W0D0B | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 5.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL | Assay Description Displacement of NO 711 from mouse GAT1 expressed in HEK293 cell membranes after 40 mins by LC-ESI-MS-MS-based MS binding assay | Bioorg Med Chem 24: 2072-96 (2016) BindingDB Entry DOI: 10.7270/Q2DF6T3C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter (Mus musculus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.96E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL | Assay 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 ... | Bioorg Med Chem 24: 2072-96 (2016) BindingDB Entry DOI: 10.7270/Q2DF6T3C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter 1 (Homo sapiens (Human)) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University M£nchen Curated by ChEMBL | Assay Description Inhibition of human GAT1 expressed in COS cells assessed as decrease in [3H]GABA uptake after 10 mins by scintillation counting analysis | Bioorg Med Chem 27: 1232-1245 (2019) Article DOI: 10.1016/j.bmc.2019.02.015 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter (Mus musculus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL | Assay 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 ... | Bioorg Med Chem 24: 2072-96 (2016) BindingDB Entry DOI: 10.7270/Q2DF6T3C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter 3 (Homo sapiens (Human)) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Zentrum f£r Pharmaforschung Curated by ChEMBL | Assay Description Binding affinity to GAT3 | Eur J Med Chem 45: 2453-66 (2010) Article DOI: 10.1016/j.ejmech.2010.02.029 BindingDB Entry DOI: 10.7270/Q2GH9J5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter 2 (Homo sapiens (Human)) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zentrum f£r Pharmaforschung Curated by ChEMBL | Assay Description Binding affinity to GAT2 | Eur J Med Chem 45: 2453-66 (2010) Article DOI: 10.1016/j.ejmech.2010.02.029 BindingDB Entry DOI: 10.7270/Q2GH9J5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Urbino Carlo Bo Curated by ChEMBL | Assay Description Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA | J Med Chem 48: 6887-96 (2005) Article DOI: 10.1021/jm058018d BindingDB Entry DOI: 10.7270/Q28C9X1X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter (Mus musculus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
GABA-B receptor 1/2 (Rattus norvegicus (Rat)) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]-baclofen from Gamma-aminobutyric acid type B receptor in rat brain membranes | J Med Chem 28: 1440-6 (1985) BindingDB Entry DOI: 10.7270/Q2TD9WC9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium- and chloride-dependent betaine transporter (Rattus norvegicus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
GABA transporter (Mus musculus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.25E+5 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
GABA transporter (Mus musculus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/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 1 (Rattus norvegicus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.51E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |||||||||||||
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL | Assay 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 ... | Bioorg Med Chem 24: 2072-96 (2016) BindingDB Entry DOI: 10.7270/Q2DF6T3C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Betaine transporter (Homo sapiens (Human)) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.37E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Inhibition of human GABA transporter (hBGT-1) activity. | J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter 3 (Homo sapiens (Human)) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Inhibitory activity against human sodium and chloride dependent GABA transporter 3 | J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter 1 (Homo sapiens (Human)) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) | J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter (Rattus norvegicus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Inhibitory activity against rat GABA transporter-2 (rGAT2) | J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
GABA transporter (Mus musculus) | BDBM50003624![]() ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL | Assay 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 ... | Bioorg Med Chem 24: 2072-96 (2016) BindingDB Entry DOI: 10.7270/Q2DF6T3C | |||||||||||
More data for this Ligand-Target Pair |