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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 313.5
BDBM50032504

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

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Deoxyhypusine synthase


(Rattus norvegicus)
BDBM50032504
PNG
(CHEMBL105338 | N-[8-(8-Amino-octylamino)-octyl]-gu...)
Show SMILES NCCCCCCCCNCCCCCCCCNC(N)=N
Show InChI InChI=1S/C17H39N5/c18-13-9-5-1-2-6-10-14-21-15-11-7-3-4-8-12-16-22-17(19)20/h21H,1-16,18H2,(H4,19,20,22)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 1.30E+4n/an/an/an/an/an/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