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SMILES: Nc1nc2n(Cc3ccccc3C=C(F)P([O-])([O-])=O)cnc2c(=O)[nH]1

InChI Key: InChIKey=AEMSKSDTIXCPHB-UHFFFAOYSA-L

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50280445   

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 (Bos taurus (bovine))	BDBM50280445 ((E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl...) Show SMILES Nc1nc2n(Cc3ccccc3C=C(F)P([O-])([O-])=O)cnc2c(=O)[nH]1 |w:12.12| Show InChI InChI=1S/C14H13FN5O4P/c15-10(25(22,23)24)5-8-3-1-2-4-9(8)6-20-7-17-11-12(20)18-14(16)19-13(11)21/h1-5,7H,6H2,(H2,22,23,24)(H3,16,18,19,21)/p-2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against calf spleen purine nucleoside phosphorylase in the presence of 1 mM (pi) orthophosphonate				Bioorg Med Chem Lett 2: 407-410 (1992) Article DOI: 10.1016/S0960-894X(00)80157-2 BindingDB Entry DOI: 10.7270/Q2WD412N
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50280445 ((E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl...) Show SMILES Nc1nc2n(Cc3ccccc3C=C(F)P([O-])([O-])=O)cnc2c(=O)[nH]1 |w:12.12| Show InChI InChI=1S/C14H13FN5O4P/c15-10(25(22,23)24)5-8-3-1-2-4-9(8)6-20-7-17-11-12(20)18-14(16)19-13(11)21/h1-5,7H,6H2,(H2,22,23,24)(H3,16,18,19,21)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human erythrocytic purine nucleoside phosphorylase in the presence of 1 mM (pi) orthophosphonate				Bioorg Med Chem Lett 2: 407-410 (1992) Article DOI: 10.1016/S0960-894X(00)80157-2 BindingDB Entry DOI: 10.7270/Q2WD412N
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50280445 ((E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl...) Show SMILES Nc1nc2n(Cc3ccccc3C=C(F)P([O-])([O-])=O)cnc2c(=O)[nH]1 |w:12.12| Show InChI InChI=1S/C14H13FN5O4P/c15-10(25(22,23)24)5-8-3-1-2-4-9(8)6-20-7-17-11-12(20)18-14(16)19-13(11)21/h1-5,7H,6H2,(H2,22,23,24)(H3,16,18,19,21)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against human erythrocytic purine nucleoside phosphorylase in the presence of 50 mM (pi) orthophosphonate				Bioorg Med Chem Lett 2: 407-410 (1992) Article DOI: 10.1016/S0960-894X(00)80157-2 BindingDB Entry DOI: 10.7270/Q2WD412N
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50280445 ((E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl...) Show SMILES Nc1nc2n(Cc3ccccc3C=C(F)P([O-])([O-])=O)cnc2c(=O)[nH]1 |w:12.12| Show InChI InChI=1S/C14H13FN5O4P/c15-10(25(22,23)24)5-8-3-1-2-4-9(8)6-20-7-17-11-12(20)18-14(16)19-13(11)21/h1-5,7H,6H2,(H2,22,23,24)(H3,16,18,19,21)/p-2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against calf spleen purine nucleoside phosphorylase in the presence of 50 mM (pi) orthophosphonate				Bioorg Med Chem Lett 2: 407-410 (1992) Article DOI: 10.1016/S0960-894X(00)80157-2 BindingDB Entry DOI: 10.7270/Q2WD412N
					More data for this Ligand-Target Pair