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BDBM185656 US9161922, Table 3, Compound 1

SMILES: NCC#CCC(N)C(=O)NCCc1ccccc1

InChI Key: InChIKey=NRUPVSGBQHKOBB-UHFFFAOYNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 185656   
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))
BDBM185656
PNG
(US9161922, Table 3, Compound 1)
Show SMILES NCC#CCC(N)C(=O)NCCc1ccccc1
Show InChI InChI=1/C14H19N3O/c15-10-5-4-8-13(16)14(18)17-11-9-12-6-2-1-3-7-12/h1-3,6-7,13H,8-11,15-16H2,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+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
Lysyl oxdiase (PPLO)


(Komagataella pastoris (Yeast) (Pichia pastoris))
BDBM185656
PNG
(US9161922, Table 3, Compound 1)
Show SMILES NCC#CCC(N)C(=O)NCCc1ccccc1
Show InChI InChI=1/C14H19N3O/c15-10-5-4-8-13(16)14(18)17-11-9-12-6-2-1-3-7-12/h1-3,6-7,13H,8-11,15-16H2,(H,17,18)
PDB

UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+5n/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)
BDBM185656
PNG
(US9161922, Table 3, Compound 1)
Show SMILES NCC#CCC(N)C(=O)NCCc1ccccc1
Show InChI InChI=1/C14H19N3O/c15-10-5-4-8-13(16)14(18)17-11-9-12-6-2-1-3-7-12/h1-3,6-7,13H,8-11,15-16H2,(H,17,18)
UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+5n/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