BindingDB logo
myBDB logout

BDBM185658 US9161922, Table 3, Compound 3

SMILES: CCCNC(=O)C(N)CC#CCN

InChI Key: InChIKey=BCNLZBDXHZIZEB-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 = 185658   
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))
BDBM185658
PNG
(US9161922, Table 3, Compound 3)
Show SMILES CCCNC(=O)C(N)CC#CCN
Show InChI InChI=1/C9H17N3O/c1-2-7-12-9(13)8(11)5-3-4-6-10/h8H,2,5-7,10-11H2,1H3,(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+7n/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))
BDBM185658
PNG
(US9161922, Table 3, Compound 3)
Show SMILES CCCNC(=O)C(N)CC#CCN
Show InChI InChI=1/C9H17N3O/c1-2-7-12-9(13)8(11)5-3-4-6-10/h8H,2,5-7,10-11H2,1H3,(H,12,13)
PDB

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+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)
BDBM185658
PNG
(US9161922, Table 3, Compound 3)
Show SMILES CCCNC(=O)C(N)CC#CCN
Show InChI InChI=1/C9H17N3O/c1-2-7-12-9(13)8(11)5-3-4-6-10/h8H,2,5-7,10-11H2,1H3,(H,12,13)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.00E+3n/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