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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 271.4
BDBM50032470

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)
BDBM50032470
PNG
(CHEMBL102951 | N-[5-(5-Guanidino-pentylamino)-pent...)
Show SMILES NC(=N)NCCCCCNCCCCCNC(N)=N
Show InChI InChI=1S/C12H29N7/c13-11(14)18-9-5-1-3-7-17-8-4-2-6-10-19-12(15)16/h17H,1-10H2,(H4,13,14,18)(H4,15,16,19)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 3.80E+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