BDBM50246593 7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::7-({[2-hydroxy-1-(hydroxymethyl)ethyl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one::CHEMBL505564::Immucillins, 4

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

InChI Key InChIKey=YGATXRRSBPFSBK-UHFFFAOYSA-N

Data  3 KI  2 ITC

PDB links: 1 PDB ID matches this monomer.

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 = 50246593   

TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL
LigandPNGBDBM50246593(7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)
Show SMILES OCC(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)
Affinity DataKi:  0.00520nMAssay Description:Equilibrium binding affinity to wild type human PNPMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL
LigandPNGBDBM50246593(7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)
Show SMILES OCC(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)
Affinity DataKi:  0.110nMAssay Description:Initial binding affinity to wild type human PNPMore data for this Ligand-Target Pair
TargetPurine nucleoside phosphorylase(Homo sapiens (Human))
Albert Einstein College of Medicine of Yeshiva University

Curated by ChEMBL
LigandPNGBDBM50246593(7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)
Show SMILES OCC(CO)NCc1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C10H14N4O3/c15-3-7(4-16)11-1-6-2-12-9-8(6)13-5-14-10(9)17/h2,5,7,11-12,15-16H,1,3-4H2,(H,13,14,17)
Affinity DataKi:  5.20nMAssay Description:Inhibition of human PNP by xanthine-oxidase coupled assayMore data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50246593   

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

SyringePNGBDBM50246593(7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)
ITC DataΔG°: -15.5kcal/mole
pH: 7.4 T: 25.00°C 
CellPurine nucleoside phosphorylase(Homo sapiens (Human))
Albert Einstein College of Medicine

SyringePNGBDBM50246593(7-((1,3-dihydroxypropan-2-ylamino)methyl)-3H-pyrro...)
ITC DataΔH°: -20.2kcal/mole
pH: 7.4 T: 27.00°C