Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 220.3 BDBM50032479Purchase

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

Found 1 hit 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
Deoxyhypusine synthase (Rattus norvegicus)	BDBM50032479 (2-(5-Carbamimidoylsulfanyl-pentyl)-isothiourea | C...) Show SMILES NC(=N)SCCCCCSC(N)=N Show InChI InChI=1S/C7H16N4S2/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H3,8,9)(H3,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+6	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
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