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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoamine oxidase' and Ligand = 'BDBM50273528'   
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)
BDBM50273528
PNG
(CHEMBL460608 | N-Methyl,N-(2-phenylethyl)-1H-indol...)
Show SMILES CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c1-20(12-11-14-7-3-2-4-8-14)18(21)17-13-15-9-5-6-10-16(15)19-17/h2-10,13,19H,11-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50273528
PNG
(CHEMBL460608 | N-Methyl,N-(2-phenylethyl)-1H-indol...)
Show SMILES CN(CCc1ccccc1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c1-20(12-11-14-7-3-2-4-8-14)18(21)17-13-15-9-5-6-10-16(15)19-17/h2-10,13,19H,11-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
100n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair