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BDBM185657 US9161922, Table 3, Compound 2

SMILES: CCOC(=O)CNC(=O)CNC(=O)C(N)CC#CCN

InChI Key: InChIKey=IXWKBWOEDGGEJT-UHFFFAOYNA-N

Data: 3 IC50

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 = 185657   
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
Plasma amine oxidase (BPAO)


(Bos taurus (Bovine))
BDBM185657
PNG
(US9161922, Table 3, Compound 2)
Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(N)CC#CCN
Show InChI InChI=1/C12H20N4O4/c1-2-20-11(18)8-15-10(17)7-16-12(19)9(14)5-3-4-6-13/h9H,2,5-8,13-14H2,1H3,(H,15,17)(H,16,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.00E+4n/an/an/an/a7.230



Case Western Reserve University

US Patent


Assay Description
In the following Examples, 0.9 mL aliquots of a solution of candidate inhibitor in 100 mM potassium phosphate buffer, pH 7.2 was mixed bovine plasma ...


US Patent US9161922 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZB1
More data for this
Ligand-Target Pair
Lysyl oxdiase (PPLO)


(Komagataella pastoris (Yeast) (Pichia pastoris))
BDBM185657
PNG
(US9161922, Table 3, Compound 2)
Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(N)CC#CCN
Show InChI InChI=1/C12H20N4O4/c1-2-20-11(18)8-15-10(17)7-16-12(19)9(14)5-3-4-6-13/h9H,2,5-8,13-14H2,1H3,(H,15,17)(H,16,19)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+6n/an/an/an/a7.230



Case Western Reserve University

US Patent


Assay Description
In the following Examples, 0.9 mL aliquots of a solution of candidate inhibitor in 100 mM potassium phosphate buffer, pH 7.2 was mixed bovine plasma ...


US Patent US9161922 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZB1
More data for this
Ligand-Target Pair
Amine oxidase (AGAO)


(Arthrobacter globiformis)
BDBM185657
PNG
(US9161922, Table 3, Compound 2)
Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(N)CC#CCN
Show InChI InChI=1/C12H20N4O4/c1-2-20-11(18)8-15-10(17)7-16-12(19)9(14)5-3-4-6-13/h9H,2,5-8,13-14H2,1H3,(H,15,17)(H,16,19)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+6n/an/an/an/a7.230



Case Western Reserve University

US Patent


Assay Description
In the following Examples, 0.9 mL aliquots of a solution of candidate inhibitor in 100 mM potassium phosphate buffer, pH 7.2 was mixed bovine plasma ...


US Patent US9161922 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3ZB1
More data for this
Ligand-Target Pair