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BDBM22103 7-{[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one::Azetidine based compound, 34

SMILES: OCC1(CO)CN(Cc2c[nH]c3c2nc[nH]c3=O)C1

InChI Key: InChIKey=YYJBQFBSERVXHQ-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 22103   
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


(Homo sapiens (Human))
BDBM22103
PNG
(7-{[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H...)
Show SMILES OCC1(CO)CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
Show InChI InChI=1S/C12H16N4O3/c17-5-12(6-18)3-16(4-12)2-8-1-13-10-9(8)14-7-15-11(10)19/h1,7,13,17-18H,2-6H2,(H,14,15,19)
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Article
PubMed
0.229 -13.0n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)


Article DOI: 10.1021/jm701265n
BindingDB Entry DOI: 10.7270/Q2QC01T3
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
BDBM22103
PNG
(7-{[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H...)
Show SMILES OCC1(CO)CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
Show InChI InChI=1S/C12H16N4O3/c17-5-12(6-18)3-16(4-12)2-8-1-13-10-9(8)14-7-15-11(10)19/h1,7,13,17-18H,2-6H2,(H,14,15,19)
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Article
PubMed
0.665 -12.4n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)


Article DOI: 10.1021/jm701265n
BindingDB Entry DOI: 10.7270/Q2QC01T3
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM22103
PNG
(7-{[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H...)
Show SMILES OCC1(CO)CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
Show InChI InChI=1S/C12H16N4O3/c17-5-12(6-18)3-16(4-12)2-8-1-13-10-9(8)14-7-15-11(10)19/h1,7,13,17-18H,2-6H2,(H,14,15,19)
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Article
PubMed
229n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human PNP by xanthine-oxidase coupled assay


J Med Chem 52: 1126-43 (2009)


Article DOI: 10.1021/jm801421q
BindingDB Entry DOI: 10.7270/Q2QR4Z18
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM22103
PNG
(7-{[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H...)
Show SMILES OCC1(CO)CN(Cc2c[nH]c3c2nc[nH]c3=O)C1
Show InChI InChI=1S/C12H16N4O3/c17-5-12(6-18)3-16(4-12)2-8-1-13-10-9(8)14-7-15-11(10)19/h1,7,13,17-18H,2-6H2,(H,14,15,19)
PDB
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KEGG

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UniChem

Patents

Article
PubMed
>1.00E+4>-6.75n/an/an/an/an/a7.722



Industrial Research Limited



Assay Description
PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...


J Med Chem 51: 948-56 (2008)


Article DOI: 10.1021/jm701265n
BindingDB Entry DOI: 10.7270/Q2QC01T3
More data for this
Ligand-Target Pair