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SMILES: CO[C@H]1CCN(C1)c1ncc(OC\C(CN)=C\F)cn1

InChI Key: InChIKey=JXYUYCVRGOBMGR-INJWIWPUSA-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 = 385388   
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
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM385388
PNG
((E)-3-Fluoro-2-[[2-[(3S)-3-methoxypyrrolidin-1-yl]...)
Show SMILES CO[C@H]1CCN(C1)c1ncc(OC\C(CN)=C\F)cn1 |r|
Show InChI InChI=1S/C13H19FN4O2/c1-19-11-2-3-18(8-11)13-16-6-12(7-17-13)20-9-10(4-14)5-15/h4,6-7,11H,2-3,5,8-9,15H2,1H3/b10-4+/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



University of Oxford



Assay Description
Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...


J Med Chem 51: 7057-60 (2008)


BindingDB Entry DOI: 10.7270/Q2C82CM5
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM385388
PNG
((E)-3-Fluoro-2-[[2-[(3S)-3-methoxypyrrolidin-1-yl]...)
Show SMILES CO[C@H]1CCN(C1)c1ncc(OC\C(CN)=C\F)cn1 |r|
Show InChI InChI=1S/C13H19FN4O2/c1-19-11-2-3-18(8-11)13-16-6-12(7-17-13)20-9-10(4-14)5-15/h4,6-7,11H,2-3,5,8-9,15H2,1H3/b10-4+/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



ELI LILLY AND COMPANY

US Patent


Assay Description
Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...


US Patent US10793552 (2020)

More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM385388
PNG
((E)-3-Fluoro-2-[[2-[(3S)-3-methoxypyrrolidin-1-yl]...)
Show SMILES CO[C@H]1CCN(C1)c1ncc(OC\C(CN)=C\F)cn1 |r|
Show InChI InChI=1S/C13H19FN4O2/c1-19-11-2-3-18(8-11)13-16-6-12(7-17-13)20-9-10(4-14)5-15/h4,6-7,11H,2-3,5,8-9,15H2,1H3/b10-4+/t11-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Amine oxidase activity of recombinant SSAO, MAOa, and MAOb isoforms are measured using the MAO-Glo™ assay kit from Promega (V1402). Test compounds (w...


US Patent US10464928 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K1J
More data for this
Ligand-Target Pair