Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 355.5 BDBM50032500Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Polyamine oxidase 1 (Zea mays)	BDBM50032500 (1,1'-(8,8'-azanediylbis(octane-8,1-diyl))diguanidi...) Show SMILES NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N Show InChI InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	6.5	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method				J Med Chem 52: 4774-85 (2009) Article DOI: 10.1021/jm900371z BindingDB Entry DOI: 10.7270/Q2TB16W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyhypusine synthase (Rattus norvegicus)	BDBM50032500 (1,1'-(8,8'-azanediylbis(octane-8,1-diyl))diguanidi...) Show SMILES NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N Show InChI InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Dental Research Curated by ChEMBL					Assay Description In vitro IC50 value by measuring the inhibition of deoxyhypusine synthase.				J Med Chem 38: 3053-61 (1995) BindingDB Entry DOI: 10.7270/Q2P55MJ2
					More data for this Ligand-Target Pair