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SMILES: CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1C

InChI Key: InChIKey=RIQMKFDFQPGUSV-XFFZJAGNSA-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 3 hits for monomerid = 220872   
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))
BDBM220872
PNG
(US9302986, 26)
Show SMILES CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1C
Show InChI InChI=1S/C14H19FN2O2/c1-10-6-12(19-9-11(7-15)8-16)4-5-13(10)14(18)17(2)3/h4-7H,8-9,16H2,1-3H3/b11-7-
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))
BDBM220872
PNG
(US9302986, 26)
Show SMILES CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1C
Show InChI InChI=1S/C14H19FN2O2/c1-10-6-12(19-9-11(7-15)8-16)4-5-13(10)14(18)17(2)3/h4-7H,8-9,16H2,1-3H3/b11-7-
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


(Homo sapiens (Human))
BDBM220872
PNG
(US9302986, 26)
Show SMILES CN(C)C(=O)c1ccc(OC\C(CN)=C/F)cc1C
Show InChI InChI=1S/C14H19FN2O2/c1-10-6-12(19-9-11(7-15)8-16)4-5-13(10)14(18)17(2)3/h4-7H,8-9,16H2,1-3H3/b11-7-
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