Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50020508   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 0.025 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214708 (6-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H17F2N4O4P/c13-12(14,23(20,21)22)5-3-1-2-4-7-6-16-9-8(7)17-11(15)18-10(9)19/h6,16H,1-5H2,(H2,20,21,22)(H3,15,17,18,19)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214708 (6-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H17F2N4O4P/c13-12(14,23(20,21)22)5-3-1-2-4-7-6-16-9-8(7)17-11(15)18-10(9)19/h6,16H,1-5H2,(H2,20,21,22)(H3,15,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	18.7	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214705 (5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,1-di...) Show SMILES Nc1nc2n(CCCCC(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H14F2N5O4P/c11-10(12,22(19,20)21)3-1-2-4-17-5-14-6-7(17)15-9(13)16-8(6)18/h5H,1-4H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214707 (9-(5',5'-Difluoro-5'-phosphonopentyl)-9-deazaguani...) Show SMILES Nc1nc2c(CCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C11H15F2N4O4P/c12-11(13,22(19,20)21)4-2-1-3-6-5-15-8-7(6)16-10(14)17-9(8)18/h5,15H,1-4H2,(H2,19,20,21)(H3,14,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20.4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214706 (4-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(CCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C10H13F2N4O4P/c11-10(12,21(18,19)20)3-1-2-5-4-14-7-6(5)15-9(13)16-8(7)17/h4,14H,1-3H2,(H2,18,19,20)(H3,13,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of human PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair