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BDBM50147597 CHEMBL3764276

SMILES: O=c1ccc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1

InChI Key: InChIKey=BOXHJLTYYUXRSS-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50147597   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50147597
PNG
(CHEMBL3764276)
Show SMILES O=c1ccc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1
Show InChI InChI=1S/C23H26N2O3/c26-23-9-7-19-6-8-21(16-22(19)28-23)27-15-12-24-20-10-13-25(14-11-20)17-18-4-2-1-3-5-18/h1-9,16,20,24H,10-15,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.39E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine substrate after 15 mins by fluorimetric analysis


Bioorg Med Chem 24: 1528-39 (2016)


Article DOI: 10.1016/j.bmc.2016.02.023
BindingDB Entry DOI: 10.7270/Q2125VHK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50147597
PNG
(CHEMBL3764276)
Show SMILES O=c1ccc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1
Show InChI InChI=1S/C23H26N2O3/c26-23-9-7-19-6-8-21(16-22(19)28-23)27-15-12-24-20-10-13-25(14-11-20)17-18-4-2-1-3-5-18/h1-9,16,20,24H,10-15,17H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.42E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...


Bioorg Med Chem 24: 1528-39 (2016)


Article DOI: 10.1016/j.bmc.2016.02.023
BindingDB Entry DOI: 10.7270/Q2125VHK
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50147597
PNG
(CHEMBL3764276)
Show SMILES O=c1ccc2ccc(OCCNC3CCN(Cc4ccccc4)CC3)cc2o1
Show InChI InChI=1S/C23H26N2O3/c26-23-9-7-19-6-8-21(16-22(19)28-23)27-15-12-24-20-10-13-25(14-11-20)17-18-4-2-1-3-5-18/h1-9,16,20,24H,10-15,17H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.34E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...


Bioorg Med Chem 24: 1528-39 (2016)


Article DOI: 10.1016/j.bmc.2016.02.023
BindingDB Entry DOI: 10.7270/Q2125VHK
More data for this
Ligand-Target Pair