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SMILES: CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O

InChI Key: InChIKey=PNZIOQNBQOTGPK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50218528   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50218528
PNG
(3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O
Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3
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Article
PubMed
n/an/a 238n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by spectrofluorimetric method


Bioorg Med Chem Lett 18: 423-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.100
BindingDB Entry DOI: 10.7270/Q2FN171X
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50218528
PNG
(3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O
Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50218528
PNG
(3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O
Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Panjab University

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylthiocholine iodide as substrate incubated for 20 mins prior to substrate addition by Ellmans met...


Bioorg Med Chem 24: 4587-4599 (2016)


Article DOI: 10.1016/j.bmc.2016.07.061
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50218528
PNG
(3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O
Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by Ellman method


Bioorg Med Chem Lett 18: 423-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.09.100
BindingDB Entry DOI: 10.7270/Q2FN171X
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50218528
PNG
(3-(4-((benzyl(ethyl)amino)methyl)phenyl)-6,7-dimet...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1cc2cc(OC)c(OC)cc2oc1=O
Show InChI InChI=1S/C27H27NO4/c1-4-28(17-19-8-6-5-7-9-19)18-20-10-12-21(13-11-20)23-14-22-15-25(30-2)26(31-3)16-24(22)32-27(23)29/h5-16H,4,17-18H2,1-3H3
PDB
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Article
PubMed
n/an/a 1.18E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BChE


J Med Chem 50: 4250-4 (2007)


Article DOI: 10.1021/jm070100g
BindingDB Entry DOI: 10.7270/Q2QC036V
More data for this
Ligand-Target Pair