BDBM50005115 CHEMBL3093802

SMILES: [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1

InChI Key: InChIKey=NONXEJNDQDZQHP-UHFFFAOYSA-L

Data: 2 KI  2 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 4 hits for monomerid = 50005115   

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))	BDBM50005115 (CHEMBL3093802) Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005115 (CHEMBL3093802) Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50005115 (CHEMBL3093802) Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005115 (CHEMBL3093802) Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method				Bioorg Med Chem Lett 23: 6663-6 (2013) Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6
					More data for this Ligand-Target Pair