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BDBM50037183 3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(1-ethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::CHEMBL310467

SMILES: CCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=NYVKEUVLHDSEJG-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50037183   
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


(Rattus norvegicus (rat))
BDBM50037183
PNG
(3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2,3,4,5-tet...)
Show SMILES CCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H36N2O/c1-2-29-17-7-6-10-24-12-13-25(20-26(24)29)27(30)14-11-22-15-18-28(19-16-22)21-23-8-4-3-5-9-23/h3-5,8-9,12-13,20,22H,2,6-7,10-11,14-19,21H2,1H3
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PC cid
PC sid
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Article
PubMed
n/an/a 376n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Inhibition concentration against rat acetylcholinesterase


J Med Chem 37: 3141-53 (1994)


Article DOI: 10.1021/jm00045a020
BindingDB Entry DOI: 10.7270/Q2JS9PHX
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50037183
PNG
(3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2,3,4,5-tet...)
Show SMILES CCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H36N2O/c1-2-29-17-7-6-10-24-12-13-25(20-26(24)29)27(30)14-11-22-15-18-28(19-16-22)21-23-8-4-3-5-9-23/h3-5,8-9,12-13,20,22H,2,6-7,10-11,14-19,21H2,1H3
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 376n/an/an/an/an/an/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
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50037183
PNG
(3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2,3,4,5-tet...)
Show SMILES CCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H36N2O/c1-2-29-17-7-6-10-24-12-13-25(20-26(24)29)27(30)14-11-22-15-18-28(19-16-22)21-23-8-4-3-5-9-23/h3-5,8-9,12-13,20,22H,2,6-7,10-11,14-19,21H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 376n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (AChE)


J Med Chem 37: 2292-9 (1994)


Article DOI: 10.1021/jm00041a007
BindingDB Entry DOI: 10.7270/Q2SX6C8G
More data for this
Ligand-Target Pair