BDBM50293060 7-{(1S)-1-[(1,3-Dihydroxypropan-2-yl)amino]-2-hydroxyethyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one::CHEMBL522757

SMILES: OCC(CO)N[C@H](CO)c1c[nH]c2c1nc[nH]c2=O

InChI Key: InChIKey=ILZZOWHQKQXYCL-MRVPVSSYSA-N

Data: 1 KI  3 Kd

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 = 50293060   

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))	BDBM50293060 (7-{(1S)-1-[(1,3-Dihydroxypropan-2-yl)amino]-2-hydr...) Show SMILES OCC(CO)N[C@H](CO)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H16N4O4/c16-2-6(3-17)15-8(4-18)7-1-12-10-9(7)13-5-14-11(10)19/h1,5-6,8,12,15-18H,2-4H2,(H,13,14,19)/t8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	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)	BDBM50293060 (7-{(1S)-1-[(1,3-Dihydroxypropan-2-yl)amino]-2-hydr...) Show SMILES OCC(CO)N[C@H](CO)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H16N4O4/c16-2-6(3-17)15-8(4-18)7-1-12-10-9(7)13-5-14-11(10)19/h1,5-6,8,12,15-18H,2-4H2,(H,13,14,19)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	297	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Binding affinity to Plasmodium falciparum His6-tagged PNP assessed as reduction in uric acid formation using inosine as substrate				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50293060 (7-{(1S)-1-[(1,3-Dihydroxypropan-2-yl)amino]-2-hydr...) Show SMILES OCC(CO)N[C@H](CO)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H16N4O4/c16-2-6(3-17)15-8(4-18)7-1-12-10-9(7)13-5-14-11(10)19/h1,5-6,8,12,15-18H,2-4H2,(H,13,14,19)/t8-/m1/s1	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	0.210	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)	BDBM50293060 (7-{(1S)-1-[(1,3-Dihydroxypropan-2-yl)amino]-2-hydr...) Show SMILES OCC(CO)N[C@H](CO)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H16N4O4/c16-2-6(3-17)15-8(4-18)7-1-12-10-9(7)13-5-14-11(10)19/h1,5-6,8,12,15-18H,2-4H2,(H,13,14,19)/t8-/m1/s1	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	297	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