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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50409092'   
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))
BDBM50409092
PNG
(CHEMBL146222)
Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCCc12
Show InChI InChI=1S/C20H18O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.78n/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


(Rattus norvegicus (rat))
BDBM50409092
PNG
(CHEMBL146222)
Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCCc12
Show InChI InChI=1S/C20H18O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.47n/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))
BDBM50409092
PNG
(CHEMBL146222)
Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCCc12
Show InChI InChI=1S/C20H18O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.5n/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