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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoamine oxidase' and Ligand = 'BDBM50361606'   
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
Monoamine oxidase


(Bos taurus)
BDBM50361606
PNG
(CHEMBL1939851)
Show SMILES CCn1ccc(c1)N1C[C@H](COC)OC1=O
Show InChI InChI=1S/C11H16N2O3/c1-3-12-5-4-9(6-12)13-7-10(8-15-2)16-11(13)14/h4-6,10H,3,7-8H2,1-2H3/t10-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50361606
PNG
(CHEMBL1939851)
Show SMILES CCn1ccc(c1)N1C[C@H](COC)OC1=O
Show InChI InChI=1S/C11H16N2O3/c1-3-12-5-4-9(6-12)13-7-10(8-15-2)16-11(13)14/h4-6,10H,3,7-8H2,1-2H3/t10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kynuramine as a substrate after 30 mins by spectrofluorometric method


J Med Chem 54: 8228-32 (2011)


Article DOI: 10.1021/jm201011x
BindingDB Entry DOI: 10.7270/Q2GX4C1S
More data for this
Ligand-Target Pair