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BDBM50411203 CHEMBL214255

SMILES: O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1

InChI Key: InChIKey=AMVFOTPBMAVZIH-UHFFFAOYSA-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 = 50411203   
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))
BDBM50411203
PNG
(CHEMBL214255)
Show SMILES O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
Show InChI InChI=1S/C15H10O5S/c16-15-9-7-11-6-8-12(10-14(11)19-15)20-21(17,18)13-4-2-1-3-5-13/h1-10H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOB by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50411203
PNG
(CHEMBL214255)
Show SMILES O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
Show InChI InChI=1S/C15H10O5S/c16-15-9-7-11-6-8-12(10-14(11)19-15)20-21(17,18)13-4-2-1-3-5-13/h1-10H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.24E+3n/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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50411203
PNG
(CHEMBL214255)
Show SMILES O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
Show InChI InChI=1S/C15H10O5S/c16-15-9-7-11-6-8-12(10-14(11)19-15)20-21(17,18)13-4-2-1-3-5-13/h1-10H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.50E+4n/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
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50411203
PNG
(CHEMBL214255)
Show SMILES O=c1ccc2ccc(OS(=O)(=O)c3ccccc3)cc2o1
Show InChI InChI=1S/C15H10O5S/c16-15-9-7-11-6-8-12(10-14(11)19-15)20-21(17,18)13-4-2-1-3-5-13/h1-10H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 447n/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat brain mitochondria MAOA by continuous spectrophotometric assay


J Med Chem 49: 4912-25 (2006)


Article DOI: 10.1021/jm060183l
BindingDB Entry DOI: 10.7270/Q2CV4K1N
More data for this
Ligand-Target Pair