BDBM185657 US9161922, Table 3, Compound 2

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

InChI Key: InChIKey=IXWKBWOEDGGEJT-UHFFFAOYSA-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)	Ligand	Target/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	pH	Temp °C
Plasma amine oxidase (BPAO) (Bos taurus (Bovine))	BDBM185657 (US9161922, Table 3, Compound 2) Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(N)CC#CCN Show InChI InChI=1S/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 AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	7.2	30
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 (US9161922, Table 3, Compound 2) Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(N)CC#CCN Show InChI InChI=1S/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 AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	7.2	30
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 (US9161922, Table 3, Compound 2) Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(N)CC#CCN Show InChI InChI=1S/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 AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.50E+6	n/a	n/a	n/a	n/a	7.2	30
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