Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50009272   

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 (Homo sapiens (Human))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081803 (CHEMBL94840 | {1,1-Difluoro-2-[(3R,4R)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081807 (({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...) Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
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 PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081803 (CHEMBL94840 | {1,1-Difluoro-2-[(3R,4R)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081806 (CHEMBL94920 | {1,1-Difluoro-2-[(3R,4S)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081803 (CHEMBL94840 | {1,1-Difluoro-2-[(3R,4R)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081806 (CHEMBL94920 | {1,1-Difluoro-2-[(3R,4S)-4-(6-oxo-1,...) Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@@H]1Cn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081807 (({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...) Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081807 (({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...) Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
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 PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair				3D Structure (crystal)