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 or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50293064   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293064 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (Homo sapiens (Human))	BDBM50293064 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	0.620	n/a	n/a	n/a	n/a	25
Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University US Patent					Assay Description The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...				US Patent US8853224 (2014) BindingDB Entry DOI: 10.7270/Q27H1H84
					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Plasmodium falciparum)	BDBM50293064 (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)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	163	n/a	n/a	n/a	n/a	25
Industrial Research Limited; Albert Einstein College of Medicine of Yeshiva University US Patent					Assay Description The inhibitor dissociation constants reported in Table 1 below are for phosphorolysis of inosine by PNP and were based on reaction rates measurements...				US Patent US8853224 (2014) BindingDB Entry DOI: 10.7270/Q27H1H84
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50293064

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293064 (7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-12.6	n/a	n/a	9.25	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293064 (7-({[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]am...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-13.3	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)