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BDBM50093715 CHEMBL3585832

SMILES: COC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccccc1

InChI Key: InChIKey=MCPCXAXRBJEOCZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50093715   
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
Monoamine oxidase A


(Bos taurus)
BDBM50093715
PNG
(CHEMBL3585832)
Show SMILES COC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H20N2O3/c1-24-17(22)12-7-13-21-18(14-8-3-2-4-9-14)20-16-11-6-5-10-15(16)19(21)23/h2-6,8-11,18,20H,7,12-13H2,1H3
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MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair
Monoamine oxidase B


(Bos taurus)
BDBM50093715
PNG
(CHEMBL3585832)
Show SMILES COC(=O)CCCN1C(Nc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C19H20N2O3/c1-24-17(22)12-7-13-21-18(14-8-3-2-4-9-14)20-16-11-6-5-10-15(16)19(21)23/h2-6,8-11,18,20H,7,12-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Alexandria University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric method


Bioorg Med Chem 23: 3574-85 (2015)


Article DOI: 10.1016/j.bmc.2015.04.021
BindingDB Entry DOI: 10.7270/Q28K7BVZ
More data for this
Ligand-Target Pair