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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Purine nucleoside phosphorylase' and Ligand = 'BDBM50048044'   
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
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048044
PNG
(2-Amino-7-(tetrahydro-thiophen-2-ylmethyl)-3,5-dih...)
Show SMILES Nc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
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Article
PubMed
6n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using 2-amino-6-mercapto-7-methyl purine ribonucleoside (MESG) as subst...


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048044
PNG
(2-Amino-7-(tetrahydro-thiophen-2-ylmethyl)-3,5-dih...)
Show SMILES Nc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
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Article
PubMed
8.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048044
PNG
(2-Amino-7-(tetrahydro-thiophen-2-ylmethyl)-3,5-dih...)
Show SMILES Nc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
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PubMed
n/an/a 11n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of purine nucleoside phosphorylase from calf spleen in 1 mM phosphate


J Med Chem 36: 1847-54 (1993)


BindingDB Entry DOI: 10.7270/Q2WQ02WD
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048044
PNG
(2-Amino-7-(tetrahydro-thiophen-2-ylmethyl)-3,5-dih...)
Show SMILES Nc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
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Article
PubMed
n/an/a 17.4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against calf spleen purine nucleoside phosphorylase (PNP) using inosine as substrate at a concentration of 10 uM.


J Med Chem 42: 2422-31 (1999)


Article DOI: 10.1021/jm990037y
BindingDB Entry DOI: 10.7270/Q2CR5SKN
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
BDBM50048044
PNG
(2-Amino-7-(tetrahydro-thiophen-2-ylmethyl)-3,5-dih...)
Show SMILES Nc1nc2c(CC3CCCS3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H14N4OS/c12-11-14-8-6(4-7-2-1-3-17-7)5-13-9(8)10(16)15-11/h5,7,13H,1-4H2,(H3,12,14,15,16)
PDB
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PubMed
n/an/a 220n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase from calf spleen in 50 mM phosphate


J Med Chem 36: 1847-54 (1993)


BindingDB Entry DOI: 10.7270/Q2WQ02WD
More data for this
Ligand-Target Pair