BDBM92930 Immucillins, 14

SMILES O[C@@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O

InChI Key InChIKey=HLFZIUSTFPPWRR-HTQZYQBOSA-N

Data  1 Kd  2 ITC

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 92930   

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

LigandPNGBDBM92930(Immucillins, 14)
Show SMILES O[C@@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O
Show InChI InChI=1S/C11H12N4O3/c16-7-3-15(4-8(7)17)2-6-1-12-10-9(6)13-5-14-11(10)18/h1,5,7-8,16-17H,2-4H2/t7-,8-/m1/s1
Affinity DataKd:  53nMAssay Description:Inhibition assay using human PNP.More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 92930   

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

SyringePNGBDBM92930(Immucillins, 14)
ITC DataΔG°: -10.0kcal/mole logk: 2.19E+7
pH: 7.4 T: 25.00°C 
CellPurine nucleoside phosphorylase(Homo sapiens (Human))
Albert Einstein College of Medicine

SyringePNGBDBM92930(Immucillins, 14)
ITC DataΔH°: -8.60kcal/mole
pH: 7.4 T: 27.00°C