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SMILES: NNC(=O)Cc1ccc(CCc2ccc(cc2C(F)(F)F)N2CCNCC2)cc1

InChI Key: InChIKey=JOANJVSPVUFIRJ-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 = 309467   
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))
BDBM309467
PNG
(US9603833, Example 59)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(cc2C(F)(F)F)N2CCNCC2)cc1
Show InChI InChI=1S/C21H25F3N4O/c22-21(23,24)19-14-18(28-11-9-26-10-12-28)8-7-17(19)6-5-15-1-3-16(4-2-15)13-20(29)27-25/h1-4,7-8,14,26H,5-6,9-13,25H2,(H,27,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.10n/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))
BDBM309467
PNG
(US9603833, Example 59)
Show SMILES NNC(=O)Cc1ccc(CCc2ccc(cc2C(F)(F)F)N2CCNCC2)cc1
Show InChI InChI=1S/C21H25F3N4O/c22-21(23,24)19-14-18(28-11-9-26-10-12-28)8-7-17(19)6-5-15-1-3-16(4-2-15)13-20(29)27-25/h1-4,7-8,14,26H,5-6,9-13,25H2,(H,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.3n/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