Compile Data Set for Download or QSAR

Found 39 hits of ki data for polymerid = 2244   

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 (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	-12.6	n/a	n/a	n/a	n/a	n/a	7.7	22
Industrial Research Limited					Assay Description PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...				J Med Chem 51: 948-56 (2008) Article DOI: 10.1021/jm701265n BindingDB Entry DOI: 10.7270/Q2QC01T3
					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
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged PNP expressed in Escherichia coli assessed as inhibitor constant for enzyme-inhibitor complex formatio...				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					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 (Plasmodium falciparum)	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50293087 (2-amino-7-(((3R,4R)-3-hydroxy-4-(hydroxymethyl)pyr...) Show SMILES Nc1nc2c(CN3C[C@H](O)[C@@H](CO)C3)c[nH]c2c(=O)[nH]1 |r| Show InChI InChI=1S/C12H17N5O3/c13-12-15-9-6(1-14-10(9)11(20)16-12)2-17-3-7(5-18)8(19)4-17/h1,7-8,14,18-19H,2-5H2,(H3,13,15,16,20)/t7-,8+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged PNP expressed in Escherichia coli assessed as inhibitor constant for enzyme-inhibitor complex formatio...				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50293086 ((1S)-1,4-dideoxy-1,4-imino-1-(9-deazaguanin-9-yl)-...) Show SMILES Nc1nc2c(c[nH]c2c(=O)[nH]1)[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50293088 (7-((2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)py...) Show SMILES OC[C@@H]1N[C@@H]([C@@H](O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor-substrate complex formation				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-in...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50330391 (5-(3-(benzyloxy)benzyl)-1-((2-hydroxyethoxy)methyl...) Show SMILES OCCOCn1c(O)c(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O Show InChI InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					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	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor complex formation				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50247149 (5'-Methylthio-ImmH | CHEMBL473929 | US9290501, (A)) Show SMILES CSC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/t6-,8+,10-,11+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum 3D7 PNP expressed in Escherichia coli assessed as reduction in uric acid formation by spectrophotometric method				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50330390 (5'-methylthio-immucillin-H | CHEMBL1275659) Show SMILES CS[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1cc2nc[nH]c(=O)c2[nH]1 |r| Show InChI InChI=1S/C11H14N4O3S/c1-19-11-9(17)8(16)6(15-11)5-2-4-7(14-5)10(18)13-3-12-4/h2-3,6,8-9,11,14-17H,1H3,(H,12,13,18)/t6-,8-,9-,11+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					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 (Plasmodium falciparum)	BDBM50247151 (7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...) Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate by xanthine oxidase coupling enzyme assay				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50293088 (7-((2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)py...) Show SMILES OC[C@@H]1N[C@@H]([C@@H](O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB 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
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor complex formation				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					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)	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum His-tagged PNP assessed as inhibitor constant for enzyme-inhibitor complex formation				J Med Chem 62: 8365-8391 (2019) Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)	BDBM50116358 (CHEMBL3604359) Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(O)ncnc23)C[C@H]1O |r| Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-in...				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM22108 (7-{[2-(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5...) Show SMILES OCC1CCN1Cc1c[nH]c2c1nc[nH]c2=O Show InChI InChI=1S/C11H14N4O2/c16-5-8-1-2-15(8)4-7-3-12-10-9(7)13-6-14-11(10)17/h3,6,8,12,16H,1-2,4-5H2,(H,13,14,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	191	-9.07	n/a	n/a	n/a	n/a	n/a	7.7	22
Industrial Research Limited					Assay Description PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...				J Med Chem 51: 948-56 (2008) Article DOI: 10.1021/jm701265n BindingDB Entry DOI: 10.7270/Q2QC01T3
					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)	BDBM50116358 (CHEMBL3604359) Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(O)ncnc23)C[C@H]1O |r| Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	298	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Victoria University of Wellington Curated by ChEMBL					Assay Description Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate by xanthine oxidase coupling enzyme assay				Bioorg Med Chem 23: 5326-33 (2015) Article DOI: 10.1016/j.bmc.2015.07.059 BindingDB Entry DOI: 10.7270/Q2HX1FF5
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM22107 (7-{[(2R,4R)-2,4-bis(hydroxymethyl)azetidin-1-yl]me...) Show SMILES OC[C@H]1C[C@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C12H16N4O3/c17-4-8-1-9(5-18)16(8)3-7-2-13-11-10(7)14-6-15-12(11)19/h2,6,8-9,13,17-18H,1,3-5H2,(H,14,15,19)/t8-,9-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	580	-8.42	n/a	n/a	n/a	n/a	n/a	7.7	22
Industrial Research Limited					Assay Description PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...				J Med Chem 51: 948-56 (2008) Article DOI: 10.1021/jm701265n BindingDB Entry DOI: 10.7270/Q2QC01T3
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM22106 (7-{[(2R,4S)-2,4-bis(hydroxymethyl)azetidin-1-yl]me...) Show SMILES OC[C@H]1C[C@@H](CO)N1Cc1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C12H16N4O3/c17-4-8-1-9(5-18)16(8)3-7-2-13-11-10(7)14-6-15-12(11)19/h2,6,8-9,13,17-18H,1,3-5H2,(H,14,15,19)/t8-,9+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.29E+3	-7.95	n/a	n/a	n/a	n/a	n/a	7.7	22
Industrial Research Limited					Assay Description PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...				J Med Chem 51: 948-56 (2008) Article DOI: 10.1021/jm701265n BindingDB Entry DOI: 10.7270/Q2QC01T3
					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
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50330388 (3-((2-Pyrrolidine-1-yl)-ethyl)uracil | CHEMBL12757...) Show SMILES O=c1cc[nH]c(=O)n1CCN1CCCC1 Show InChI InChI=1S/C10H15N3O2/c14-9-3-4-11-10(15)13(9)8-7-12-5-1-2-6-12/h3-4H,1-2,5-8H2,(H,11,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM22105 (7-{[3-(hydroxymethyl)azetidin-1-yl]methyl}-3H,4H,5...) Show SMILES OCC1CN(Cc2c[nH]c3c2nc[nH]c3=O)C1 Show InChI InChI=1S/C11H14N4O2/c16-5-7-2-15(3-7)4-8-1-12-10-9(8)13-6-14-11(10)17/h1,6-7,12,16H,2-5H2,(H,13,14,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-6.75	n/a	n/a	n/a	n/a	n/a	7.7	22
Industrial Research Limited					Assay Description PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...				J Med Chem 51: 948-56 (2008) Article DOI: 10.1021/jm701265n BindingDB Entry DOI: 10.7270/Q2QC01T3
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM22103 (7-{[3,3-bis(hydroxymethyl)azetidin-1-yl]methyl}-3H...) Show SMILES OCC1(CO)CN(Cc2c[nH]c3c2nc[nH]c3=O)C1 Show InChI InChI=1S/C12H16N4O3/c17-5-12(6-18)3-16(4-12)2-8-1-13-10-9(8)14-7-15-11(10)19/h1,7,13,17-18H,2-6H2,(H,14,15,19)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	>-6.75	n/a	n/a	n/a	n/a	n/a	7.7	22
Industrial Research Limited					Assay Description PNP activity was monitored by absorbance change in a coupled assay. In the assay, inosine was converted to hypoxanthine, and then hypoxanthine was co...				J Med Chem 51: 948-56 (2008) Article DOI: 10.1021/jm701265n BindingDB Entry DOI: 10.7270/Q2QC01T3
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50330394 (1-((2-Pyrrolidine-1-yl)-ethyl)uracil | CHEMBL12756...) Show SMILES O=c1ccn(CCN2CCCC2)c(=O)[nH]1 Show InChI InChI=1S/C10H15N3O2/c14-9-3-6-13(10(15)11-9)8-7-12-4-1-2-5-12/h3,6H,1-2,4-5,7-8H2,(H,11,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50330395 (1-((3-Pyrrolidine-1-yl)-propyl)uracil | CHEMBL1275...) Show SMILES O=c1ccn(CCCN2CCCC2)c(=O)[nH]1 Show InChI InChI=1S/C11H17N3O2/c15-10-4-9-14(11(16)12-10)8-3-7-13-5-1-2-6-13/h4,9H,1-3,5-8H2,(H,12,15,16)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50330389 (3-((2-(l-Prolinol)-1-yl)-ethyl)uracil | CHEMBL1275...) Show SMILES OC[C@@H]1CCCN1CCn1c(=O)cc[nH]c1=O |r| Show InChI InChI=1S/C11H17N3O3/c15-8-9-2-1-5-13(9)6-7-14-10(16)3-4-12-11(14)17/h3-4,9,15H,1-2,5-8H2,(H,12,17)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50330397 (1-((4-Pyrrolidine-1-yl)-butyl)uracil | CHEMBL12757...) Show SMILES O=c1ccn(CCCCN2CCCC2)c(=O)[nH]1 Show InChI InChI=1S/C12H19N3O2/c16-11-5-10-15(12(17)13-11)9-4-3-8-14-6-1-2-7-14/h5,10H,1-4,6-9H2,(H,13,16,17)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50330398 (1-((4-(l-Prolinol)-1-yl)-butyl)uracil | CHEMBL1275...) Show SMILES OC[C@@H]1CCCN1CCCCn1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C13H21N3O3/c17-10-11-4-3-8-15(11)6-1-2-7-16-9-5-12(18)14-13(16)19/h5,9,11,17H,1-4,6-8,10H2,(H,14,18,19)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Plasmodium falciparum)	BDBM50330396 (1-((3-(l-Prolinol)-1-yl)-propyl)uracil | CHEMBL127...) Show SMILES OC[C@@H]1CCCN1CCCn1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C12H19N3O3/c16-9-10-3-1-5-14(10)6-2-7-15-8-4-11(17)13-12(15)18/h4,8,10,16H,1-3,5-7,9H2,(H,13,17,18)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry				Eur J Med Chem 45: 5140-9 (2010) Article DOI: 10.1016/j.ejmech.2010.08.026 BindingDB Entry DOI: 10.7270/Q24J0FB7
					More data for this Ligand-Target Pair