BDBM50270395 CHEMBL4092845
SMILES: [I-].CC[N+]1(C)CCc2cc(OC)c(OC)cc2C1
InChI Key: InChIKey=HSJUCWLQDUOCTR-UHFFFAOYSA-M
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 protein alpha-4/beta-2 subunit (Rattus norvegicus (Rat)) | BDBM50270395 (CHEMBL4092845) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 9.70E+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 alpha4beta2 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method | J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50270395 (CHEMBL4092845) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >3.00E+5 | 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 alpha3beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method | J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit (Rattus norvegicus (Rat)) | BDBM50270395 (CHEMBL4092845) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >3.00E+5 | 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 alpha4beta4 nAChR expressed in HEK293 cell membranes after 4 hrs by scintillation counting method | J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor Alpha-3/Beta-4 (Rattus norvegicus (Rat)) | BDBM50270395 (CHEMBL4092845) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up to... | J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nicotinic acetylcholine receptor alpha-4/beta-2 (Mus musculus) | BDBM50270395 (CHEMBL4092845) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen Curated by ChEMBL | Assay Description Antagonist activity at mouse alpha4beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced current response measured up ... | J Med Chem 61: 1719-1729 (2018) Article DOI: 10.1021/acs.jmedchem.7b01895 BindingDB Entry DOI: 10.7270/Q2668GPB | |||||||||||
More data for this Ligand-Target Pair |