BDBM50293064 7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one::CHEMBL523107::Immucillins, 10

SMILES OCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O

InChI Key InChIKey=UJESFEKRDYMZED-UHFFFAOYSA-N

Data  1 KI  2 Kd  2 ITC

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50293064   

TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research Limited

Curated by ChEMBL
LigandPNGBDBM50293064(7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)
Show SMILES OCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-11(4-17,5-18)15-2-7-1-12-9-8(7)13-6-14-10(9)19/h1,6,12,15-18H,2-5H2,(H,13,14,19)
Affinity DataKi:  620nMAssay Description:Inhibition of human PNP by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Industrial Research Limited

Curated by ChEMBL
LigandPNGBDBM50293064(7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)
Show SMILES OCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-11(4-17,5-18)15-2-7-1-12-9-8(7)13-6-14-10(9)19/h1,6,12,15-18H,2-5H2,(H,13,14,19)
Affinity DataKd:  0.620nMT: 2°CAssay Description:The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...More data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Plasmodium falciparum)
Industrial Research Limited

US Patent
LigandPNGBDBM50293064(7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)
Show SMILES OCC(CO)(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H16N4O4/c16-3-11(4-17,5-18)15-2-7-1-12-9-8(7)13-6-14-10(9)19/h1,6,12,15-18H,2-5H2,(H,13,14,19)
Affinity DataKd:  163nMT: 2°CAssay Description:The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50293064   

CellPurine nucleoside phosphorylase(Homo sapiens (Human))
Albert Einstein College of Medicine

SyringePNGBDBM50293064(7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)
ITC DataΔG°: -12.6kcal/mole logk: 1.78E+9
pH: 7.4 T: 25.00°C 
CellPurine nucleoside phosphorylase(Homo sapiens (Human))
Albert Einstein College of Medicine

SyringePNGBDBM50293064(7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)
ITC DataΔH°: -13.3kcal/mole
pH: 7.4 T: 27.00°C