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BDBM50039542 2-Amino-7-pyridin-3-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one::2-amino-7-(pyridin-3-ylmethyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one::2-amino-7-(pyridin-3-ylmethyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::CHEMBL311300

SMILES: Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1

InChI Key: InChIKey=DOHVAKFYAHLCJP-UHFFFAOYSA-N

Data: 2 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50039542   
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))
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
3.10n/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 (PNP)


(Bos taurus (bovine))
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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13.5n/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


(Rattus norvegicus)
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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n/an/a 25n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)


J Med Chem 37: 2477-80 (1994)


Article DOI: 10.1021/jm00041a027
BindingDB Entry DOI: 10.7270/Q21G0K9T
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Bos taurus (bovine))
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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n/an/a 25n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate


J Med Chem 36: 55-69 (1993)


Article DOI: 10.1021/jm00053a008
BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
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 27n/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


(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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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 (PNP)


(Bos taurus (bovine))
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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n/an/a 190n/an/an/an/an/an/a



BioCryst Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Purine nucleoside phosphorylase was evaluated against the enzyme from calf spleen in 50 mM phosphate


J Med Chem 36: 55-69 (1993)


Article DOI: 10.1021/jm00053a008
BindingDB Entry DOI: 10.7270/Q2B27TCX
More data for this
Ligand-Target Pair