BDBM50032500 1,1'-(8,8'-azanediylbis(octane-8,1-diyl))diguanidine::CHEMBL102276::Iminoctadiene::N-[8-(8-Guanidino-octylamino)-octyl]-guanidine::N-{8-[(8-{[(E)-AMINO(IMINO)METHYL]AMINO}OCTYL)AMINO]OCTYL}GUANIDINE
SMILES: NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N
InChI Key: InChIKey=RONFGUROBZGJKP-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Polyamine oxidase (Zea mays) | BDBM50032500 (1,1'-(8,8'-azanediylbis(octane-8,1-diyl))diguanidi...) | 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...) | 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 |