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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

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   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)
LigandTarget/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
pHTemp
°C
Acetylcholinesterase


(Mus musculus (mouse))
BDBM50029946
PNG
(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
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PC cid
PC sid
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Article
n/an/a 8.90n/an/an/an/an/an/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
PNG
(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
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Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against acetylcholinesterase


J Med Chem 38: 4821-9 (1996)


Article DOI: 10.1021/jm00024a009
BindingDB Entry DOI: 10.7270/Q2QC045T
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50029946
PNG
(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
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PubMed
n/an/a 9n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of AchE (unknown origin)


ACS Med Chem Lett 7: 341-4 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00099
BindingDB Entry DOI: 10.7270/Q2NG4SJJ
More data for this
Ligand-Target Pair