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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoamine oxidase' and Ligand = 'BDBM50361609'   
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)
BDBM50361609
PNG
(CHEMBL1939853)
Show SMILES CCn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O
Show InChI InChI=1S/C10H13N5O2/c1-2-14-4-3-8(6-14)15-7-9(5-12-13-11)17-10(15)16/h3-4,6,9H,2,5,7H2,1H3/t9-/m0/s1
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MMDB

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B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/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)
BDBM50361609
PNG
(CHEMBL1939853)
Show SMILES CCn1ccc(c1)N1C[C@H](CN=[N+]=[N-])OC1=O
Show InChI InChI=1S/C10H13N5O2/c1-2-14-4-3-8(6-14)15-7-9(5-12-13-11)17-10(15)16/h3-4,6,9H,2,5,7H2,1H3/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+4n/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