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PubMed code 20129792

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50078454
PNG
(2-Amino-7-pyridin-2-ylmethyl-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3ccccn3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5O/c13-12-16-9-7(5-8-3-1-2-4-14-8)6-15-10(9)11(18)17-12/h1-4,6,15H,5H2,(H3,13,16,17,18)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50042804
PNG
(2-Amino-7-(3-chloro-benzyl)-3,5-dihydro-pyrrolo[3,...)
Show SMILES Nc1nc2c(Cc3cccc(Cl)c3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H11ClN4O/c14-9-3-1-2-7(5-9)4-8-6-16-11-10(8)17-13(15)18-12(11)19/h1-3,5-6,16H,4H2,(H3,15,17,18,19)
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50039547
PNG
(2-Amino-7-benzyl-3,5-dihydro-pyrrolo[3,2-d]pyrimid...)
Show SMILES Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H12N4O/c14-13-16-10-9(6-8-4-2-1-3-5-8)7-15-11(10)12(18)17-13/h1-5,7,15H,6H2,(H3,14,16,17,18)
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50078453
PNG
(2-Amino-7-pyridin-4-ylmethyl-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3ccncc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5O/c13-12-16-9-8(5-7-1-3-14-4-2-7)6-15-10(9)11(18)17-12/h1-4,6,15H,5H2,(H3,13,16,17,18)
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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50039542
PNG
(2-Amino-7-pyridin-3-ylmethyl-3,5-dihydro-pyrrolo[3...)
Show SMILES Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50078460
PNG
(2-Amino-7-(4-isopropyl-benzyl)-3,5-dihydro-pyrrolo...)
Show SMILES CC(C)c1ccc(Cc2c[nH]c3c2nc(N)[nH]c3=O)cc1
Show InChI InChI=1S/C16H18N4O/c1-9(2)11-5-3-10(4-6-11)7-12-8-18-14-13(12)19-16(17)20-15(14)21/h3-6,8-9,18H,7H2,1-2H3,(H3,17,19,20,21)
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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50078455
PNG
(2-Amino-7-(4-benzyloxy-benzyl)-3,5-dihydro-pyrrolo...)
Show SMILES Nc1nc2c(Cc3ccc(OCc4ccccc4)cc3)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C20H18N4O2/c21-20-23-17-15(11-22-18(17)19(25)24-20)10-13-6-8-16(9-7-13)26-12-14-4-2-1-3-5-14/h1-9,11,22H,10,12H2,(H3,21,23,24,25)
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50307454
PNG
(3-((2R,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)te...)
Show SMILES OC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m0/s1
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Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50307455
PNG
((2S,3S,4R,5S)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(ccc12)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m0/s1
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Article
PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50307456
PNG
(2-amino-7-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxym...)
Show SMILES Nc1nc2n(ccc2c(=S)[nH]1)[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H14N4O4S/c12-11-13-8-4(9(20)14-11)1-2-15(8)10-7(18)6(17)5(3-16)19-10/h1-2,5-7,10,16-18H,3H2,(H3,12,13,14,20)/t5-,6-,7-,10-/m0/s1
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Article
PubMed
n/an/a 3.15E+5n/an/an/an/an/an/a



Universidade Federal da Bahia

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase


Bioorg Med Chem 18: 1421-7 (2010)


Article DOI: 10.1016/j.bmc.2010.01.022
BindingDB Entry DOI: 10.7270/Q2571C49
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%