BindingDB PrimarySearch

BDBM50149891 2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]::CHEMBL360055::GALLAMINE

SMILES: CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC

InChI Key: InChIKey=OZLPUNFFCJDMJD-UHFFFAOYSA-N

Data: 5 KI 3 IC50 3 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50149891
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
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
Universit£ di Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
Universit£ di Siena Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP K_i Database									J Pharmacol Exp Ther 284: 500-7 (1998) Article DOI: 10.1021/acschembio.5b00655 BindingDB Entry DOI: 10.7270/Q2HX1B6S
University of Arizona Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Muscarinic receptor M2 and M3 (RAT)	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP K_i Database									J Pharmacol Exp Ther 284: 500-7 (1998) Article DOI: 10.1021/acschembio.5b00655 BindingDB Entry DOI: 10.7270/Q2HX1B6S
University of Arizona Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells after 4 hrs by FRET assay in pre...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
Universit£ de Strasbourg Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
Universit£ de Strasbourg Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.74E+5	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated at 17 residues expressed in HEK293 cells assessed as reduction of [3H]...				J Med Chem 55: 2125-43 (2012) Article DOI: 10.1021/jm201348t BindingDB Entry DOI: 10.7270/Q2XW4KZ2
Universit£ de Strasbourg Curated by ChEMBL					More data for this Ligand-Target Pair
Cholinergic, muscarinic (GUINEA PIG)	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of [3H]NMS dissociation from porcine muscarinic M2 receptor				J Med Chem 50: 5685-95 (2007) Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.15E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus Acetylcholinesterase				J Med Chem 50: 5685-95 (2007) Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (human))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.11E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human Acetylcholinesterase				J Med Chem 50: 5685-95 (2007) Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN
University of Bonn Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM50149891 (2,2',2''-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Inhibition of bovine AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
Universit£ di Siena Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)