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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoamine oxidase' and Ligand = 'BDBM50124548'   
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)
BDBM50124548
PNG
(CHEMBL441306 | Methyl-prop-2-ynyl-[1-(1H-pyrrol-2-...)
Show SMILES CN(CC#C)C(=C)c1ccc[nH]1
Show InChI InChI=1S/C10H12N2/c1-4-8-12(3)9(2)10-6-5-7-11-10/h1,5-7,11H,2,8H2,3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50124548
PNG
(CHEMBL441306 | Methyl-prop-2-ynyl-[1-(1H-pyrrol-2-...)
Show SMILES CN(CC#C)C(=C)c1ccc[nH]1
Show InChI InChI=1S/C10H12N2/c1-4-8-12(3)9(2)10-6-5-7-11-10/h1,5-7,11H,2,8H2,3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a



Università degli Studi di Roma La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria


J Med Chem 46: 917-20 (2003)


Article DOI: 10.1021/jm0256124
BindingDB Entry DOI: 10.7270/Q20V8C52
More data for this
Ligand-Target Pair