BDBM50169858 5,6-Dimethoxy-2-(4-morpholin-4-ylmethyl-phenoxy)-indan-1-one::CHEMBL179824

SMILES: COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC

InChI Key: InChIKey=DXPFFPDCRUGNRH-UHFFFAOYSA-N

Data: 1 KI  4 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 5 hits for monomerid = 50169858   

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))	BDBM50169858 (5,6-Dimethoxy-2-(4-morpholin-4-ylmethyl-phenoxy)-i...) Show SMILES COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C22H25NO5/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)28-17-5-3-15(4-6-17)14-23-7-9-27-10-8-23/h3-6,11,13,21H,7-10,12,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	514	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to acetylcholinesterase (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50169858 (5,6-Dimethoxy-2-(4-morpholin-4-ylmethyl-phenoxy)-i...) Show SMILES COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C22H25NO5/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)28-17-5-3-15(4-6-17)14-23-7-9-27-10-8-23/h3-6,11,13,21H,7-10,12,14H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against butyrylcholinesterase was determined using rat serum homogenate				Bioorg Med Chem Lett 15: 3834-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.132 BindingDB Entry DOI: 10.7270/Q27H1KBV
					More data for this Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) (Rattus norvegicus (rat))	BDBM50169858 (5,6-Dimethoxy-2-(4-morpholin-4-ylmethyl-phenoxy)-i...) Show SMILES COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C22H25NO5/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)28-17-5-3-15(4-6-17)14-23-7-9-27-10-8-23/h3-6,11,13,21H,7-10,12,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) (Rattus norvegicus (rat))	BDBM50169858 (5,6-Dimethoxy-2-(4-morpholin-4-ylmethyl-phenoxy)-i...) Show SMILES COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C22H25NO5/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)28-17-5-3-15(4-6-17)14-23-7-9-27-10-8-23/h3-6,11,13,21H,7-10,12,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of acetylcholinesterase in Rattus norvegicus (rat) cortex by Ellman method				Citation and Details Article DOI: 10.1007/s00044-012-0227-3 BindingDB Entry DOI: 10.7270/Q24F1TN5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50169858 (5,6-Dimethoxy-2-(4-morpholin-4-ylmethyl-phenoxy)-i...) Show SMILES COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC Show InChI InChI=1S/C22H25NO5/c1-25-19-11-16-12-21(22(24)18(16)13-20(19)26-2)28-17-5-3-15(4-6-17)14-23-7-9-27-10-8-23/h3-6,11,13,21H,7-10,12,14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against rat cortex acetylcholinesterase				Bioorg Med Chem Lett 15: 3834-7 (2005) Article DOI: 10.1016/j.bmcl.2005.05.132 BindingDB Entry DOI: 10.7270/Q27H1KBV
					More data for this Ligand-Target Pair