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SMILES: Cn1cc(OC2CN(C2)c2cccc(COC(=O)CC(N)=N)c2F)ccc1=O

InChI Key: InChIKey=CBFHNKKBGWOWIM-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 = 228096   
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))
BDBM228096
PNG
(US9556160, ex 557)
Show SMILES Cn1cc(OC2CN(C2)c2cccc(COC(=O)CC(N)=N)c2F)ccc1=O
Show InChI InChI=1S/C19H21FN4O4/c1-23-8-13(5-6-17(23)25)28-14-9-24(10-14)15-4-2-3-12(19(15)20)11-27-18(26)7-16(21)22/h2-6,8,14H,7,9-11H2,1H3,(H3,21,22)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM228096
PNG
(US9556160, ex 557)
Show SMILES Cn1cc(OC2CN(C2)c2cccc(COC(=O)CC(N)=N)c2F)ccc1=O
Show InChI InChI=1S/C19H21FN4O4/c1-23-8-13(5-6-17(23)25)28-14-9-24(10-14)15-4-2-3-12(19(15)20)11-27-18(26)7-16(21)22/h2-6,8,14H,7,9-11H2,1H3,(H3,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/a25



Astellas Pharma Inc.

US Patent


Assay Description
A human VAP-1 enzyme (SSAO) (reference: J Exp Med. 1998 Jul. 6; 188(1): 17 to 27) activity was measured by a radiochemistry-enzymatic assay using 14C...


US Patent US9556160 (2017)


BindingDB Entry DOI: 10.7270/Q2KP845Q
More data for this
Ligand-Target Pair