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SMILES: CNC(=O)c1ccc(OC\C(CN)=C\F)cc1

InChI Key: InChIKey=VMRJOQQGMNKVJX-RMKNXTFCSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 220868   
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))
BDBM220868
PNG
(US9302986, 25)
Show SMILES CNC(=O)c1ccc(OC\C(CN)=C\F)cc1
Show InChI InChI=1S/C12H15FN2O2/c1-15-12(16)10-2-4-11(5-3-10)17-8-9(6-13)7-14/h2-6H,7-8,14H2,1H3,(H,15,16)/b9-6+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/an/an/an/a7.437



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

US Patent


Assay Description
Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities. The assay was performed in a similar way as for hu...


US Patent US9302986 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81QZ
More data for this
Ligand-Target Pair
Amiloride-sensitive amine oxidase [copper-containing]


(Homo sapiens (Human))
BDBM220868
PNG
(US9302986, 25)
Show SMILES CNC(=O)c1ccc(OC\C(CN)=C\F)cc1
Show InChI InChI=1S/C12H15FN2O2/c1-15-12(16)10-2-4-11(5-3-10)17-8-9(6-13)7-14/h2-6H,7-8,14H2,1H3,(H,15,16)/b9-6+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/a7.437



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

US Patent


Assay Description
Recombinant human DAO (2.4 μg/mL) was used as source of DAO enzyme activities. The assay was performed as described in the method for human SSAO/V...


US Patent US9302986 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81QZ
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM220868
PNG
(US9302986, 25)
Show SMILES CNC(=O)c1ccc(OC\C(CN)=C\F)cc1
Show InChI InChI=1S/C12H15FN2O2/c1-15-12(16)10-2-4-11(5-3-10)17-8-9(6-13)7-14/h2-6H,7-8,14H2,1H3,(H,15,16)/b9-6+
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+5n/an/an/an/a7.4n/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

US Patent


Assay Description
Abdominal fat from BALB/c mice, Wistar or Sprague Dawley rats, which are tissues enriched with SSAO/VAP-1-were surgically removed. For every gram of ...


US Patent US9302986 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81QZ
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM220868
PNG
(US9302986, 25)
Show SMILES CNC(=O)c1ccc(OC\C(CN)=C\F)cc1
Show InChI InChI=1S/C12H15FN2O2/c1-15-12(16)10-2-4-11(5-3-10)17-8-9(6-13)7-14/h2-6H,7-8,14H2,1H3,(H,15,16)/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+5n/an/an/an/a7.4n/a



BOEHRINGER INGELHEIM INTERNATIONAL GMBH

US Patent


Assay Description
Briefly, HMEC cell expressing human SSAO/VAP-1 were grown in several 10 cm petri dishes, once the cells reached 100% confluency, cells were harvested...


US Patent US9302986 (2016)


BindingDB Entry DOI: 10.7270/Q2ZC81QZ
More data for this
Ligand-Target Pair