BDBM50254538 3-(dimethylamino)butyl methylcarbamate::CHEMBL466400
SMILES: CNC(=O)OCCC(C)N(C)C
InChI Key: InChIKey=VEDPMPOSMIIBBR-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (Human)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Copenhagen University Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR (unknown origin) expressed in HEK293 cells | Bioorg Med Chem Lett 19: 87-91 (2008) Article DOI: 10.1016/j.bmcl.2008.11.011 BindingDB Entry DOI: 10.7270/Q2571BV9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293 cell membranes incubated for 4 hrs b... | Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells | J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta2 expressed in HEK293 cell membranes incubated for 4 hrs b... | Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells | J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta4 expressed in HEK293 cell membranes incubated for 4 hrs b... | Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha4beta4 expressed in HEK293 cell membranes incubated for 4 hrs b... | Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-3 (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells | J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cell membranes incubated for 4 hrs b... | Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IQM-CSIC Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat neuronal acetylcholine receptor subunit alpha3beta4 expressed in HEK293 cell membranes incubated for 4 hrs b... | Eur J Med Chem 102: 352-62 (2015) Article DOI: 10.1016/j.ejmech.2015.07.029 BindingDB Entry DOI: 10.7270/Q2668H6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor (Rattus norvegicus (Rat)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells | J Med Chem 51: 7380-95 (2009) Article DOI: 10.1021/jm701625v BindingDB Entry DOI: 10.7270/Q2DF6S4D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinergic, Nicotinic Alpha3Beta2 (Homo sapiens (Human)) | BDBM50254538 (3-(dimethylamino)butyl methylcarbamate | CHEMBL466...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a |
Copenhagen University Curated by ChEMBL | Assay Description Agonist activity at alpha3beta4 nAChR (unknown origin) expressed in HEK293 cells by FLIPR membrane potential assay | Bioorg Med Chem Lett 19: 87-91 (2008) Article DOI: 10.1016/j.bmcl.2008.11.011 BindingDB Entry DOI: 10.7270/Q2571BV9 | |||||||||||
More data for this Ligand-Target Pair |