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SMILES: CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1

InChI Key: InChIKey=MZMLXSFLDADQLO-UHFFFAOYSA-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 = 309475   
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))
BDBM309475
PNG
(US9603833, Example 87)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1
Show InChI InChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-15-20)7-6-17-2-4-18(5-3-17)14-21(28)24-22/h2-5,8-9,15H,6-7,10-14,22H2,1H3,(H,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM309475
PNG
(US9603833, Example 87)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1
Show InChI InChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-15-20)7-6-17-2-4-18(5-3-17)14-21(28)24-22/h2-5,8-9,15H,6-7,10-14,22H2,1H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in the Production Examples were examined for the inhibitory effect on human monoamineoxydase enzymes ...


US Patent US9603833 (2017)


BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM309475
PNG
(US9603833, Example 87)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1
Show InChI InChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-15-20)7-6-17-2-4-18(5-3-17)14-21(28)24-22/h2-5,8-9,15H,6-7,10-14,22H2,1H3,(H,24,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in the Production Examples were examined for the inhibitory effect on human monoamineoxydase enzymes ...


US Patent US9603833 (2017)


BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM309475
PNG
(US9603833, Example 87)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1
Show InChI InChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-15-20)7-6-17-2-4-18(5-3-17)14-21(28)24-22/h2-5,8-9,15H,6-7,10-14,22H2,1H3,(H,24,28)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



R-Tech Ueno, Ltd.

US Patent


Assay Description
The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...


US Patent US9603833 (2017)


BindingDB Entry DOI: 10.7270/Q2W37ZCW
More data for this
Ligand-Target Pair