BDBM10710 3-{[methyl({6-[(9-oxo-9H-xanthen-3-yl)oxy]hexyl})amino]methyl}phenyl N-methylcarbamate::aminoalkoxyaryl deriv. 12a

SMILES: CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1

InChI Key: InChIKey=ZCJVEAQKQPJJOE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 10710   

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))	BDBM10710 (3-{[methyl({6-[(9-oxo-9H-xanthen-3-yl)oxy]hexyl})a...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C29H32N2O5/c1-30-29(33)35-23-11-9-10-21(18-23)20-31(2)16-7-3-4-8-17-34-22-14-15-25-27(19-22)36-26-13-6-5-12-24(26)28(25)32/h5-6,9-15,18-19H,3-4,7-8,16-17,20H2,1-2H3,(H,30,33)	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	1.40	n/a	n/a	n/a	n/a	8.0	37
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10710 (3-{[methyl({6-[(9-oxo-9H-xanthen-3-yl)oxy]hexyl})a...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C29H32N2O5/c1-30-29(33)35-23-11-9-10-21(18-23)20-31(2)16-7-3-4-8-17-34-22-14-15-25-27(19-22)36-26-13-6-5-12-24(26)28(25)32/h5-6,9-15,18-19H,3-4,7-8,16-17,20H2,1-2H3,(H,30,33)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10710 (3-{[methyl({6-[(9-oxo-9H-xanthen-3-yl)oxy]hexyl})a...) Show SMILES CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(c2)oc2ccccc2c3=O)c1 Show InChI InChI=1S/C29H32N2O5/c1-30-29(33)35-23-11-9-10-21(18-23)20-31(2)16-7-3-4-8-17-34-22-14-15-25-27(19-22)36-26-13-6-5-12-24(26)28(25)32/h5-6,9-15,18-19H,3-4,7-8,16-17,20H2,1-2H3,(H,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.9	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 44: 3810-20 (2001) Article DOI: 10.1021/jm010914b BindingDB Entry DOI: 10.7270/Q2MG7MR0
					More data for this Ligand-Target Pair