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BDBM50381958 CHEMBL2022926

SMILES: CN(CC=C=C)Cc1cc2cc(OCc3ccccc3)ccc2n1C

InChI Key: InChIKey=SCWQHRXSENXPJQ-UHFFFAOYNA-N

Data: 4 IC50

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 4 hits for monomerid = 50381958   
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


(Electrophorus electricus (Electric eel))
BDBM50381958
PNG
(CHEMBL2022926)
Show SMILES CN(CC=C=C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
Show InChI InChI=1/C22H24N2O/c1-4-5-13-23(2)16-20-14-19-15-21(11-12-22(19)24(20)3)25-17-18-9-7-6-8-10-18/h5-12,14-15H,1,13,16-17H2,2-3H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's method


Eur J Med Chem 52: 251-62 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.022
BindingDB Entry DOI: 10.7270/Q25H7H97
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50381958
PNG
(CHEMBL2022926)
Show SMILES CN(CC=C=C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
Show InChI InChI=1/C22H24N2O/c1-4-5-13-23(2)16-20-14-19-15-21(11-12-22(19)24(20)3)25-17-18-9-7-6-8-10-18/h5-12,14-15H,1,13,16-17H2,2-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial MAO-B in rat liver homogenates using [14C]-phenylethylamine as substrate preincubated for 30 mins by liquid scintillation...


Eur J Med Chem 52: 251-62 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.022
BindingDB Entry DOI: 10.7270/Q25H7H97
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50381958
PNG
(CHEMBL2022926)
Show SMILES CN(CC=C=C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
Show InChI InChI=1/C22H24N2O/c1-4-5-13-23(2)16-20-14-19-15-21(11-12-22(19)24(20)3)25-17-18-9-7-6-8-10-18/h5-12,14-15H,1,13,16-17H2,2-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...


Eur J Med Chem 52: 251-62 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.022
BindingDB Entry DOI: 10.7270/Q25H7H97
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM50381958
PNG
(CHEMBL2022926)
Show SMILES CN(CC=C=C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
Show InChI InChI=1/C22H24N2O/c1-4-5-13-23(2)16-20-14-19-15-21(11-12-22(19)24(20)3)25-17-18-9-7-6-8-10-18/h5-12,14-15H,1,13,16-17H2,2-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's method


Eur J Med Chem 52: 251-62 (2012)


Article DOI: 10.1016/j.ejmech.2012.03.022
BindingDB Entry DOI: 10.7270/Q25H7H97
More data for this
Ligand-Target Pair