null

SMILES: [I-].CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1\C=N/O

InChI Key: InChIKey=IQUWKCQRAGMSIQ-UHFFFAOYSA-O

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50246568   

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 (Homo sapiens (Human))	BDBM50246568 (CHEMBL4096126) Show SMILES [I-].CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C20H35N5O3/c1-5-6-11-25(16-18(26)22-17(2)3)20(27)10-8-7-9-12-24-14-13-23(4)19(24)15-21-28/h13-15,17H,5-12,16H2,1-4H3,(H,22,26)/p+1	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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246568 (CHEMBL4096126) Show SMILES [I-].CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C20H35N5O3/c1-5-6-11-25(16-18(26)22-17(2)3)20(27)10-8-7-9-12-24-14-13-23(4)19(24)15-21-28/h13-15,17H,5-12,16H2,1-4H3,(H,22,26)/p+1	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	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246568 (CHEMBL4096126) Show SMILES [I-].CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C20H35N5O3/c1-5-6-11-25(16-18(26)22-17(2)3)20(27)10-8-7-9-12-24-14-13-23(4)19(24)15-21-28/h13-15,17H,5-12,16H2,1-4H3,(H,22,26)/p+1	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	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50246568 (CHEMBL4096126) Show SMILES [I-].CCCCN(CC(=O)NC(C)C)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C20H35N5O3/c1-5-6-11-25(16-18(26)22-17(2)3)20(27)10-8-7-9-12-24-14-13-23(4)19(24)15-21-28/h13-15,17H,5-12,16H2,1-4H3,(H,22,26)/p+1	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	n/a	2.13E+5	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...				J Med Chem 60: 9376-9392 (2017) Article DOI: 10.1021/acs.jmedchem.7b01083 BindingDB Entry DOI: 10.7270/Q27W6FMG
					More data for this Ligand-Target Pair