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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50378564   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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PubMed
n/an/a 3.80n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of [3H]DPDPE binding to recombinant human Opioid receptor delta 1


Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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n/an/a 55.0n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10%


J Med Chem 43: 4747-58 (2000)


BindingDB Entry DOI: 10.7270/Q20K29RT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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Article
PubMed
n/an/a 55.0n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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n/an/a 3.49E+3n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinolone production using kynuramine as substrate after 20 mins by fluoresce...


Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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n/an/a 6.76E+3n/an/an/an/an/an/a



Universit£ de Lausanne

Curated by ChEMBL


Assay Description
Inhibitory effect on monoamine oxidase A, SD on IC50 values < 10%


J Med Chem 43: 4747-58 (2000)


BindingDB Entry DOI: 10.7270/Q20K29RT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Inhibitory constant against Dopamine transporter


Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of the Western Cape

Curated by ChEMBL


Assay Description
Binding affinity against cathepsin L


Eur J Med Chem 125: 853-864 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.041
BindingDB Entry DOI: 10.7270/Q2BP057T
More data for this
Ligand-Target Pair