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Compile Data Set for Download or QSAR

Found 7 hits of ki for monomerid = 50033666   
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))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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4.20n/an/an/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of zinc chloride


J Med Chem 38: 1005-14 (1995)


BindingDB Entry DOI: 10.7270/Q2FF3RDR
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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5.20n/an/an/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of purine nucleoside phosphorylase of human erythrocytes in xanthine oxidase-coupled assay


J Med Chem 36: 3455-63 (1993)


BindingDB Entry DOI: 10.7270/Q2PR7V1V
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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PubMed
8.70n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4


J Med Chem 36: 3771-83 (1994)


BindingDB Entry DOI: 10.7270/Q23J3DKS
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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8.70n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside Phosphorylase from calf spleen at 1 mM PO4


J Med Chem 36: 3771-83 (1994)


BindingDB Entry DOI: 10.7270/Q23J3DKS
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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PubMed
8.70n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity against hydrophobic pocket of Purine nucleoside Phosphorylase


J Med Chem 36: 3771-83 (1994)


BindingDB Entry DOI: 10.7270/Q23J3DKS
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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Article
PubMed
10n/an/an/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of purine nucleoside phosphorylase isolated from human erythrocytes.


J Med Chem 39: 949-56 (1996)


Article DOI: 10.1021/jm950736k
BindingDB Entry DOI: 10.7270/Q2SN082H
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50033666
PNG
(2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methox...)
Show SMILES Nc1nc2n(COCCOP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H13N5O9P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)4-20-1-2-21-24(18,19)22-23(15,16)17/h3H,1-2,4H2,(H,18,19)(H2,15,16,17)(H3,9,11,12,14)
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PubMed
11n/an/an/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte purine nucleoside phosphorylase (PNPase) in the presence of ethylenediaminetetraacetic acid (Na2 EDTA)


J Med Chem 38: 1005-14 (1995)


BindingDB Entry DOI: 10.7270/Q2FF3RDR
More data for this
Ligand-Target Pair