BDBM50029946 2-(1-Cyclohexylmethyl-piperidin-4-ylmethyl)-5,6-dimethoxy-indan-1-one; hydrochloride::CHEMBL355160::CHEMBL540607

SMILES: COc1cc2CC(CC3CCN(CC4CCCCC4)CC3)C(=O)c2cc1OC

InChI Key: InChIKey=BRSFFGZGURCVGX-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 = 50029946   

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 (Mus musculus (mouse))	BDBM50029946 (2-(1-Cyclohexylmethyl-piperidin-4-ylmethyl)-5,6-di...) Show SMILES COc1cc2CC(CC3CCN(CC4CCCCC4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H35NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h14-15,17-18,20H,3-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Acetylcholinesterase activity in mouse brain homogenate				Bioorg Med Chem Lett 2: 871-876 (1992) Article DOI: 10.1016/S0960-894X(00)80547-8 BindingDB Entry DOI: 10.7270/Q21R6QDV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50029946 (2-(1-Cyclohexylmethyl-piperidin-4-ylmethyl)-5,6-di...) Show SMILES COc1cc2CC(CC3CCN(CC4CCCCC4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H35NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h14-15,17-18,20H,3-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase				J Med Chem 38: 4821-9 (1996) BindingDB Entry DOI: 10.7270/Q2QC045T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50029946 (2-(1-Cyclohexylmethyl-piperidin-4-ylmethyl)-5,6-di...) Show SMILES COc1cc2CC(CC3CCN(CC4CCCCC4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H35NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h14-15,17-18,20H,3-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of AchE (unknown origin)				ACS Med Chem Lett 7: 341-4 (2016) BindingDB Entry DOI: 10.7270/Q2NG4SJJ
					More data for this Ligand-Target Pair