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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Monoamine oxidase' and Ligand = 'BDBM50359396'   
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


(Rattus norvegicus (rat))
BDBM50359396
PNG
(CHEMBL1929420 | US8999994, 5)
Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Universitat Aut£noma de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of rat liver mitochondrial MAO-A using [14C]-5-hydroxytryptamine after 30 mins by scintillation counting


J Med Chem 54: 8251-70 (2011)


Article DOI: 10.1021/jm200853t
BindingDB Entry DOI: 10.7270/Q20P10G5
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50359396
PNG
(CHEMBL1929420 | US8999994, 5)
Show SMILES CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
Show InChI InChI=1S/C28H35N3O/c1-4-15-29(2)22-26-19-25-20-27(10-11-28(25)30(26)3)32-18-14-23-12-16-31(17-13-23)21-24-8-6-5-7-9-24/h1,5-11,19-20,23H,12-18,21-22H2,2-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70E+3n/an/an/an/a7.437



Consejo Superior de Investigaciones Cientificas; Universitat Autonoma de Barcelona; Universidad de Barcelona

US Patent


Assay Description
The inhibitory activity of monoamine oxidases A and B was assessed by the Fowler and Tipton radiometric method (Biochem Pharmacol 1981, 30, 3329) usi...


US Patent US8999994 (2015)


BindingDB Entry DOI: 10.7270/Q2NZ86CM
More data for this
Ligand-Target Pair