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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 214.3
BDBM50032506
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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)
BDBM50032506
PNG
(CHEMBL102487 | N-(7-Guanidino-heptyl)-guanidine)
Show SMILES NC(=N)NCCCCCCCNC(N)=N
Show InChI InChI=1S/C9H22N6/c10-8(11)14-6-4-2-1-3-5-7-15-9(12)13/h1-7H2,(H4,10,11,14)(H4,12,13,15)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 3.40E+3n/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