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SMILES: Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N

InChI Key: InChIKey=KADAYTHXZKIGHM-UHFFFAOYSA-N

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

Found 4 hits for monomerid = 50093335   
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


(Rattus norvegicus (rat))
BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAO-B using kynuramine substrate in rat mitochondrial substrate by spectrophotometric assay


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.70n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.48E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50093335
PNG
(CHEMBL3586611)
Show SMILES Cl.CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C27H24N2O4.ClH/c1-29(15-20-4-2-19(14-28)3-5-20)16-21-6-8-22(9-7-21)18-32-24-10-11-25-23(17-30)12-27(31)33-26(25)13-24;/h2-13,30H,15-18H2,1H3;1H
UniProtKB/SwissProt

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



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric Ellman's method


J Med Chem 58: 5561-78 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00599
BindingDB Entry DOI: 10.7270/Q26T0PCZ
More data for this
Ligand-Target Pair