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SMILES: Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=NQBDQXKOFMTXFA-UHFFFAOYSA-N

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 = 65867   
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
Inward rectifier potassium channel 2


(Mus musculus)
BDBM65867
PNG
((1-benzyl-4-piperidyl)-(4-chlorobenzyl)amine | 1-b...)
Show SMILES Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2
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n/an/a 3.77E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM65867
PNG
((1-benzyl-4-piperidyl)-(4-chlorobenzyl)amine | 1-b...)
Show SMILES Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2
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n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM65867
PNG
((1-benzyl-4-piperidyl)-(4-chlorobenzyl)amine | 1-b...)
Show SMILES Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2
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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of human serum butyrylcholinesterase using BTCI as substrate pre-incubated for 10 mins followed by substrate addition and measured for 6 m...


Eur J Med Chem 167: 510-524 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.030
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM65867
PNG
((1-benzyl-4-piperidyl)-(4-chlorobenzyl)amine | 1-b...)
Show SMILES Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2
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n/an/a 850n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine iodide as substrate pre-incubated for 10 mins followed by substrate addi...


Eur J Med Chem 167: 510-524 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.030
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM65867
PNG
((1-benzyl-4-piperidyl)-(4-chlorobenzyl)amine | 1-b...)
Show SMILES Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 using as 7-Methoxycoumarin-4-acetyl-[Asn670, Leu671]-Amyloid beta/A4 precursor protein 770 fragment 667-676-(2,4-dinitrophe...


Eur J Med Chem 167: 510-524 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.030
More data for this
Ligand-Target Pair