Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'skelton' and Initial = 'bw'   

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))	BDBM22109 (7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...) Show SMILES OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.0110	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 purine nucleoside phosphorylase by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0660	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 purine nucleoside phosphorylase by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0660	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 purine nucleoside phosphorylase by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50247158 (7-(((3S,4S)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...) Show SMILES OC[C@@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r| Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	0.380	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 purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM22109 (7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...) Show SMILES OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.5	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 Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM22109 (7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...) Show SMILES OC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.10	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 purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252909 ((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...) Show SMILES OC[C@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82	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 purine nucleoside phosphorylase by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	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 Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	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 Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252909 ((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...) Show SMILES OC[C@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.3	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 Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) Show SMILES OC[C@@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.3	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 Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50247158 (7-(((3S,4S)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...) Show SMILES OC[C@@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r| Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	80	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 Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50252909 ((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...) Show SMILES OC[C@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	260	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 Plasmodium falciparum purine nucleoside phosphorylase by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50247158 (7-(((3S,4S)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-...) Show SMILES OC[C@@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r| Show InChI InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/t8-,9+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	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 Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50252909 ((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...) Show SMILES OC[C@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O |r| Show InChI InChI=1S/C12H15FN4O3/c13-12(5-18)4-17(3-8(12)19)2-7-1-14-10-9(7)15-6-16-11(10)20/h1,6,8,14,18-19H,2-5H2,(H,15,16,20)/t8-,12-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.07E+3	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 Plasmodium falciparum purine nucleoside phosphorylase assessed as slow onset inhibition constant by xanthine-oxidase coupled assay				J Med Chem 51: 5880-4 (2008) Article DOI: 10.1021/jm800792b BindingDB Entry DOI: 10.7270/Q2VQ32H9
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50711 (2-(2-carbomethoxy-4-hydroxy-6-methoxy-phenoxy)-6-h...) Show SMILES COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(O)=O Show InChI InChI=1S/C17H16O8/c1-8-4-11(19)14(16(20)21)12(5-8)25-15-10(17(22)24-3)6-9(18)7-13(15)23-2/h4-7,18-19H,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Western Australia Curated by ChEMBL					Assay Description Displacement of endothelin-1 from ETA receptor in rat A10 cells				J Nat Prod 65: 7-10 (2002) BindingDB Entry DOI: 10.7270/Q2FB53VF
					More data for this Ligand-Target Pair