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BDBM50422435 CHEMBL2311112

SMILES: OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O

InChI Key: InChIKey=UMACXNRGXRACLJ-PRMBHOGLSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50422435   
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 (PNP)


(Bos taurus (bovine))
BDBM50422435
PNG
(CHEMBL2311112)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H13N5O4/c16-1-3-8(17)9(18)6(13-3)5-4-7(15-14-5)10(19)12-2-11-4/h2-3,6,8-9,13,16-18H,1H2,(H,14,15)(H,11,12,19)/t3-,6+,8-,9+/m1/s1
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0.0420n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against bovine purine nucleoside phosphorylase(PNP)


J Med Chem 46: 155-60 (2002)


Article DOI: 10.1021/jm0203332
BindingDB Entry DOI: 10.7270/Q2DF6QJZ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50422435
PNG
(CHEMBL2311112)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H13N5O4/c16-1-3-8(17)9(18)6(13-3)5-4-7(15-14-5)10(19)12-2-11-4/h2-3,6,8-9,13,16-18H,1H2,(H,14,15)(H,11,12,19)/t3-,6+,8-,9+/m1/s1
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0.104n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against human purine nucleoside phosphorylase(PNP)


J Med Chem 46: 155-60 (2002)


Article DOI: 10.1021/jm0203332
BindingDB Entry DOI: 10.7270/Q2DF6QJZ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50422435
PNG
(CHEMBL2311112)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H13N5O4/c16-1-3-8(17)9(18)6(13-3)5-4-7(15-14-5)10(19)12-2-11-4/h2-3,6,8-9,13,16-18H,1H2,(H,14,15)(H,11,12,19)/t3-,6+,8-,9+/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant determined against human purine nucleoside phosphorylase (PNP) after slow-onset inhibition


J Med Chem 46: 3412-23 (2003)


Article DOI: 10.1021/jm030145r
BindingDB Entry DOI: 10.7270/Q2X92C29
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50422435
PNG
(CHEMBL2311112)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H13N5O4/c16-1-3-8(17)9(18)6(13-3)5-4-7(15-14-5)10(19)12-2-11-4/h2-3,6,8-9,13,16-18H,1H2,(H,14,15)(H,11,12,19)/t3-,6+,8-,9+/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Dissociation constant against Human Purine Nucleoside Phosphorylase was reported


J Med Chem 46: 5271-6 (2003)


Article DOI: 10.1021/jm030305z
BindingDB Entry DOI: 10.7270/Q23N2449
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50422435
PNG
(CHEMBL2311112)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H13N5O4/c16-1-3-8(17)9(18)6(13-3)5-4-7(15-14-5)10(19)12-2-11-4/h2-3,6,8-9,13,16-18H,1H2,(H,14,15)(H,11,12,19)/t3-,6+,8-,9+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase; Initial rate.


J Med Chem 46: 3412-23 (2003)


Article DOI: 10.1021/jm030145r
BindingDB Entry DOI: 10.7270/Q2X92C29
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50422435
PNG
(CHEMBL2311112)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O
Show InChI InChI=1S/C10H13N5O4/c16-1-3-8(17)9(18)6(13-3)5-4-7(15-14-5)10(19)12-2-11-4/h2-3,6,8-9,13,16-18H,1H2,(H,14,15)(H,11,12,19)/t3-,6+,8-,9+/m1/s1
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Article
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1.40n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Binding affinity towards Human Purine Nucleoside Phosphorylase was reported


J Med Chem 46: 5271-6 (2003)


Article DOI: 10.1021/jm030305z
BindingDB Entry DOI: 10.7270/Q23N2449
More data for this
Ligand-Target Pair