BindingDB PrimarySearch

BDBM80642 CHEMBL191491::MG 624::MLS002172460::SMR001254093::cid_6433339::triethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]ammonium;iodide::triethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium;iodide::triethyl-[2-[4-[(E)-styryl]phenoxy]ethyl]ammonium;iodide

SMILES: CC[N+](CC)(CC)CCOc1ccc(\C=C\c2ccccc2)cc1

InChI Key: InChIKey=YIMFXBPXUPTIEJ-OUKQBFOZSA-N

Data: 2 KI 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 80642
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 \| MG 624 \| MLS002172460 \| SMR00125409...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-bungarotoxin from human alpha7 nAChR expressed in human SH-SY5Y cell membranes after 30 mins by gamma counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2 (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 \| MG 624 \| MLS002172460 \| SMR00125409...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of (+/-)-[3H]-epibatidine from human alpha4beta2 nAChR expressed in HEK293 cell membranes after 30 mins by beta counting analysis				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 \| MG 624 \| MLS002172460 \| SMR00125409...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 \| MG 624 \| MLS002172460 \| SMR00125409...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mins at -...				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-10/alpha-9 subunit (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 \| MG 624 \| MLS002172460 \| SMR00125409...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Antagonist activity at human alpha9alpha10 nACHR expressed in xenopous laevis oocyte assessed as inhibition of ACh-induced channel current after 5 mi...				J Med Chem 61: 10531-10544 (2018) Article DOI: 10.1021/acs.jmedchem.8b01052 BindingDB Entry DOI: 10.7270/Q2PV6P2W
Universit£ degli Studi di Milano Curated by ChEMBL					More data for this Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 \| MG 624 \| MLS002172460 \| SMR00125409...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2862DX0
					More data for this Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 \| MG 624 \| MLS002172460 \| SMR00125409...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a	n/a	25
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q24F1P6P
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit (Homo sapiens (Human))	BDBM80642 (CHEMBL191491 \| MG 624 \| MLS002172460 \| SMR00125409...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibitory concentration against Nicotinic acetylcholine receptor alpha 7				J Med Chem 48: 4705-45 (2005) Article DOI: 10.1021/jm040219e BindingDB Entry DOI: 10.7270/Q29W0G79
					More data for this Ligand-Target Pair