BDBM50246570 CHEMBL4081509

SMILES: [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O

InChI Key: InChIKey=FSMNWAVSUPWFJU-UHFFFAOYSA-O

Data: 1 IC50  3 Kd

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 4 hits for monomerid = 50246570   

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))	BDBM50246570 (CHEMBL4081509) Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/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	5.00E+4	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))	BDBM50246570 (CHEMBL4081509) Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/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	8.00E+4	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))	BDBM50246570 (CHEMBL4081509) Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/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	1.22E+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))	BDBM50246570 (CHEMBL4081509) Show SMILES [I-].CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1cc[n+](C)c1\C=N/O Show InChI InChI=1S/C24H35N5O3/c1-3-4-14-29(20-22(30)25-18-21-11-7-5-8-12-21)24(31)13-9-6-10-15-28-17-16-27(2)23(28)19-26-32/h5,7-8,11-12,16-17,19H,3-4,6,9-10,13-15,18,20H2,1-2H3,(H,25,30)/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	3.52E+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