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BDBM50246592 5'-deoxy-4'-hydroxy-5'-methylthio-DADMe-ImmH::CHEMBL512051

SMILES: CSC[C@@]1(O)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O

InChI Key: InChIKey=ZEGPJIDHJRYULC-ZANVPECISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50246592   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50246592
PNG
(5'-deoxy-4'-hydroxy-5'-methylthio-DADMe-ImmH | CHE...)
Show SMILES CSC[C@@]1(O)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C13H18N4O3S/c1-21-6-13(20)5-17(4-9(13)18)3-8-2-14-11-10(8)15-7-16-12(11)19/h2,7,9,14,18,20H,3-6H2,1H3,(H,15,16,19)/t9-,13-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL


Assay Description
Initial binding affinity to wild type human PNP


Bioorg Med Chem Lett 18: 5900-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.047
BindingDB Entry DOI: 10.7270/Q2SX6F4H
More data for this
Ligand-Target Pair