BDBM50020168 1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzylamino)hexylamino]ethyldisulfanyl}ethyl)-1,6-hexanediamine::CHEMBL19060::N-(2-Methoxy-benzyl)-N'-(2-{2-[6-(2-methoxy-benzylamino)-hexylamino]-ethyldisulfanyl}-ethyl)-hexane-1,6-diamine::N-(2-Methoxy-benzyl)-N'-(2-{2-[6-(2-methoxy-benzylamino)-hexylamino]-ethyldisulfanyl}-ethyl)-hexane-1,6-diamine (BHC, Benextramine)::N-(2-Methoxy-benzyl)-N'-(2-{2-[6-(2-methoxy-benzylamino)-hexylamino]-ethyldisulfanyl}-ethyl)-hexane-1,6-diamine .4HCl::N1-(2-methoxybenzyl)-N6-(2-(2-(2-(6-(2-methoxybenzylamino)hexylamino)ethyl)disulfanyl)ethyl)hexane-1,6-diamine

SMILES: COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC

InChI Key: InChIKey=IIWOUNLDWKZMQI-UHFFFAOYSA-N

Data: 2 KI  5 IC50

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 7 hits for monomerid = 50020168   

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
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50020168 (1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...) Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Binding affinity to NPY1 receptor				Bioorg Med Chem Lett 21: 5436-41 (2011) Article DOI: 10.1016/j.bmcl.2011.06.124 BindingDB Entry DOI: 10.7270/Q2RN387K
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 5 ( NPY Y5) (Homo sapiens (Human))	BDBM50020168 (1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...) Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Binding affinity to NPY5 receptor				Bioorg Med Chem Lett 21: 5436-41 (2011) Article DOI: 10.1016/j.bmcl.2011.06.124 BindingDB Entry DOI: 10.7270/Q2RN387K
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020168 (1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...) Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human AchE				J Med Chem 51: 347-72 (2008) Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)	BDBM50020168 (1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...) Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against alpha adrenergic receptor in rat				J Med Chem 28: 1643-7 (1985) BindingDB Entry DOI: 10.7270/Q23T9KF3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50020168 (1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...) Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes				J Med Chem 41: 4186-9 (1998) Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50020168 (1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...) Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
University of Camerino Curated by ChEMBL					Assay Description Alpha-2 adrenergic receptor blocking activity by antagonism of clonidine induced depression of twitch response of field stimulated prostatic portion ...				J Med Chem 31: 1861-6 (1988) BindingDB Entry DOI: 10.7270/Q2HD7XVF
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50020168 (1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...) Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)]				J Med Chem 41: 4186-9 (1998) Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM
					More data for this Ligand-Target Pair