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BDBM50299426 4-{[Benzyl(methyl)amino]methyl}-7-[(3-chlorobenzyl)oxy]-2Hchromen-2-one::CHEMBL574420

SMILES: CN(Cc1ccccc1)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12

InChI Key: InChIKey=VGECHHJNXOGESZ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50299426   
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 Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50299426
PNG
(4-{[Benzyl(methyl)amino]methyl}-7-[(3-chlorobenzyl...)
Show SMILES CN(Cc1ccccc1)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Show InChI InChI=1S/C25H22ClNO3/c1-27(15-18-6-3-2-4-7-18)16-20-13-25(28)30-24-14-22(10-11-23(20)24)29-17-19-8-5-9-21(26)12-19/h2-14H,15-17H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay


J Med Chem 52: 6685-706 (2009)


Article DOI: 10.1021/jm9010127
BindingDB Entry DOI: 10.7270/Q2DR2VJ6
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50299426
PNG
(4-{[Benzyl(methyl)amino]methyl}-7-[(3-chlorobenzyl...)
Show SMILES CN(Cc1ccccc1)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
Show InChI InChI=1S/C25H22ClNO3/c1-27(15-18-6-3-2-4-7-18)16-20-13-25(28)30-24-14-22(10-11-23(20)24)29-17-19-8-5-9-21(26)12-19/h2-14H,15-17H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of MAO-A from Wistar rat brain by radioenzymatic assay


J Med Chem 52: 6685-706 (2009)


Article DOI: 10.1021/jm9010127
BindingDB Entry DOI: 10.7270/Q2DR2VJ6
More data for this
Ligand-Target Pair