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BDBM50364483 CHEMBL534756

SMILES: COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=UEFVAUCKVCFRDW-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50364483   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50364483
PNG
(CHEMBL534756)
Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N3O2/c1-13-8-10-26-21-18(27-14(2)5-4-9-25)12-19(28-3)22(20(13)21)29-15-6-7-16(23)17(24)11-15/h6-8,10-12,14,27H,4-5,9,25H2,1-3H3
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay


Bioorg Med Chem Lett 22: 1701-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.108
BindingDB Entry DOI: 10.7270/Q2KS6S12
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50364483
PNG
(CHEMBL534756)
Show SMILES COc1cc(NC(C)CCCN)c2nccc(C)c2c1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H25Cl2N3O2/c1-13-8-10-26-21-18(27-14(2)5-4-9-25)12-19(28-3)22(20(13)21)29-15-6-7-16(23)17(24)11-15/h6-8,10-12,14,27H,4-5,9,25H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.26E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as conversion of kynuramine to 4-hydroxyquinoline preincubated for 15 mins by fluorimetric assay


Bioorg Med Chem Lett 22: 1701-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.108
BindingDB Entry DOI: 10.7270/Q2KS6S12
More data for this
Ligand-Target Pair