BDBM50225210 N,N,N-triethyl-2-(5-(((6-(2-(1,2,3,4-tetrahydroacridin-9-yl)-hydrazino)-6-oxohexyl)amino)carbonyl)-2,3-bis((2-triethylammonio)ethoxy)phenoxy)ethanammonium tribromide hydrochloride

SMILES: CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=WJFJEDDYGFJHOF-UHFFFAOYSA-P

Data: 5 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50225210   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50225210 (N,N,N-triethyl-2-(5-(((6-(2-(1,2,3,4-tetrahydroacr...) Show SMILES CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C50H82N7O5/c1-10-55(11-2,12-3)32-35-60-45-39-47(62-37-34-57(16-7,17-8)18-9)46(61-36-33-56(13-4,14-5)15-6)38-42(45)50(59)51-31-25-19-20-30-48(58)53-54-49-40-26-21-23-28-43(40)52-44-29-24-22-27-41(44)49/h21,23,26,28,38-39H,10-20,22,24-25,27,29-37H2,1-9H3,(H-2,51,52,53,54,58,59)/q+1/p+2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+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
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50225210 (N,N,N-triethyl-2-(5-(((6-(2-(1,2,3,4-tetrahydroacr...) Show SMILES CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C50H82N7O5/c1-10-55(11-2,12-3)32-35-60-45-39-47(62-37-34-57(16-7,17-8)18-9)46(61-36-33-56(13-4,14-5)15-6)38-42(45)50(59)51-31-25-19-20-30-48(58)53-54-49-40-26-21-23-28-43(40)52-44-29-24-22-27-41(44)49/h21,23,26,28,38-39H,10-20,22,24-25,27,29-37H2,1-9H3,(H-2,51,52,53,54,58,59)/q+1/p+2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27.7	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of Torpedo californica Acetylcholinesterase				J Med Chem 50: 5685-95 (2007) Article DOI: 10.1021/jm070859s BindingDB Entry DOI: 10.7270/Q2NS0VRN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50225210 (N,N,N-triethyl-2-(5-(((6-(2-(1,2,3,4-tetrahydroacr...) Show SMILES CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C50H82N7O5/c1-10-55(11-2,12-3)32-35-60-45-39-47(62-37-34-57(16-7,17-8)18-9)46(61-36-33-56(13-4,14-5)15-6)38-42(45)50(59)51-31-25-19-20-30-48(58)53-54-49-40-26-21-23-28-43(40)52-44-29-24-22-27-41(44)49/h21,23,26,28,38-39H,10-20,22,24-25,27,29-37H2,1-9H3,(H-2,51,52,53,54,58,59)/q+1/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23.2	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
					More data for this Ligand-Target Pair
Cholinergic, muscarinic (GUINEA PIG)	BDBM50225210 (N,N,N-triethyl-2-(5-(((6-(2-(1,2,3,4-tetrahydroacr...) Show SMILES CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C50H82N7O5/c1-10-55(11-2,12-3)32-35-60-45-39-47(62-37-34-57(16-7,17-8)18-9)46(61-36-33-56(13-4,14-5)15-6)38-42(45)50(59)51-31-25-19-20-30-48(58)53-54-49-40-26-21-23-28-43(40)52-44-29-24-22-27-41(44)49/h21,23,26,28,38-39H,10-20,22,24-25,27,29-37H2,1-9H3,(H-2,51,52,53,54,58,59)/q+1/p+2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40	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
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50225210 (N,N,N-triethyl-2-(5-(((6-(2-(1,2,3,4-tetrahydroacr...) Show SMILES CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C50H82N7O5/c1-10-55(11-2,12-3)32-35-60-45-39-47(62-37-34-57(16-7,17-8)18-9)46(61-36-33-56(13-4,14-5)15-6)38-42(45)50(59)51-31-25-19-20-30-48(58)53-54-49-40-26-21-23-28-43(40)52-44-29-24-22-27-41(44)49/h21,23,26,28,38-39H,10-20,22,24-25,27,29-37H2,1-9H3,(H-2,51,52,53,54,58,59)/q+1/p+2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28.9	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
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50225210 (N,N,N-triethyl-2-(5-(((6-(2-(1,2,3,4-tetrahydroacr...) Show SMILES CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(cc1OCC[N+](CC)(CC)CC)C(=O)NCCCCCC(=O)NNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C50H82N7O5/c1-10-55(11-2,12-3)32-35-60-45-39-47(62-37-34-57(16-7,17-8)18-9)46(61-36-33-56(13-4,14-5)15-6)38-42(45)50(59)51-31-25-19-20-30-48(58)53-54-49-40-26-21-23-28-43(40)52-44-29-24-22-27-41(44)49/h21,23,26,28,38-39H,10-20,22,24-25,27,29-37H2,1-9H3,(H-2,51,52,53,54,58,59)/q+1/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+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
					More data for this Ligand-Target Pair