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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM50069802'   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069802
PNG
(CHEMBL3407581)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50069802
PNG
(CHEMBL3407581)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4C)CC3)ccc2n1C
Show InChI InChI=1S/C30H39N3O/c1-5-16-31(3)23-28-20-27-21-29(12-13-30(27)32(28)4)34-19-8-10-25-14-17-33(18-15-25)22-26-11-7-6-9-24(26)2/h1,6-7,9,11-13,20-21,25H,8,10,14-19,22-23H2,2-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



Laboratorio de Qu�mica M�dica, (IQOG, CSIC)

Curated by ChEMBL


Assay Description
Reversible inhibition of human MAO-A expressed in baculovirus infected BTI insect cells


J Med Chem 57: 10455-63 (2014)


Article DOI: 10.1021/jm501501a
BindingDB Entry DOI: 10.7270/Q2WS8VX3
More data for this
Ligand-Target Pair