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:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 22103   

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))	BDBM22103 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.229	-13.0	n/a	n/a	n/a	n/a	n/a	7.7	22
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 (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 MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.665	-12.4	n/a	n/a	n/a	n/a	n/a	7.7	22
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 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	229	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 (PNP) (Plasmodium falciparum)	BDBM22103 (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 MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-6.75	n/a	n/a	n/a	n/a	n/a	7.7	22
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