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Compile Data Set for Download or QSAR

Found 8 hits of kd data for polymerid = 50006311   
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


(Mycobacterium tuberculosis)
BDBM50412071
PNG
(CHEMBL388931)
Show SMILES CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
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n/an/an/a 1.26E+4n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
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n/an/an/a 1.26E+4n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM85707
PNG
(CAS_82410-32-0 | DHPG | NSC_3454)
Show SMILES Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
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n/an/an/a 1.58E+4n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM50423778
PNG
(Leukerin | MERCAPTOPURINE | Mercaleukin | Mercapto...)
Show SMILES S=c1[nH]cnc2nc[nH]c12
Show InChI InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
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n/an/an/a 7.94E+4n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM50334271
PNG
(6-(methylthio)-9H-purin-2-amine | 6-methylsulfanyl...)
Show SMILES CSc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
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n/an/an/a 3.16E+5n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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n/an/an/a 3.16E+5n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM50423777
PNG
(OXYPURINOL | Oxipurinol)
Show SMILES O=c1[nH]c2n[nH]cc2c(=O)[nH]1
Show InChI InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
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n/an/an/a 7.94E+5n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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PubMed
n/an/an/a 1.00E+6n/an/an/an/an/a



Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair