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SMILES: NNC(=O)Cc1ccc(CCc2ccc(nc2)N2CCCCC2)cc1

InChI Key: InChIKey=VDCAGWNUMLIDEP-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 2 hits for monomerid = 309464   
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


(Rattus norvegicus (Rat))
BDBM309464
PNG
(US9603833, Example 45)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(nc2)N2CCCCC2)cc1
Show InChI InChI=1S/C20H26N4O/c21-23-20(25)14-17-7-4-16(5-8-17)6-9-18-10-11-19(22-15-18)24-12-2-1-3-13-24/h4-5,7-8,10-11,15H,1-3,6,9,12-14,21H2,(H,23,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM309464
PNG
(US9603833, Example 45)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(nc2)N2CCCCC2)cc1
Show InChI InChI=1S/C20H26N4O/c21-23-20(25)14-17-7-4-16(5-8-17)6-9-18-10-11-19(22-15-18)24-12-2-1-3-13-24/h4-5,7-8,10-11,15H,1-3,6,9,12-14,21H2,(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17.2n/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