Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50036208   

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))	BDBM50005799 (2,8-Diamino-9-benzyl-1,9-dihydro-purin-6-one | CHE...) Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1ccccc1 Show InChI InChI=1S/C12H12N6O/c13-11-16-9-8(10(19)17-11)15-12(14)18(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,15)(H3,13,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50368825 (CHEMBL603291) Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1C1O[C@H](CSc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H18N6O4S/c17-15-20-12-9(13(25)21-15)19-16(18)22(12)14-11(24)10(23)8(26-14)6-27-7-4-2-1-3-5-7/h1-5,8,10-11,14,23-24H,6H2,(H2,18,19)(H3,17,20,21,25)/t8-,10-,11-,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50022243 (2,8-Diamino-1,9-dihydro-purin-6-one | 8-AMINOGUANI...) Show SMILES Nc1nc2nc(N)[nH]c(=O)c2[nH]1 Show InChI InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50368823 (CHEMBL606329) Show SMILES O[C@@H]1[C@@H](I)OC([C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C9H9IN4O4/c10-8-6(16)5(15)7(18-8)3-2-4(14-13-3)9(17)12-1-11-2/h1,5-8,15-16H,(H,13,14)(H,11,12,17)/t5-,6+,7?,8+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50404028 (CHEMBL2021376) Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4-,5-,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against PNP activity in dialyzed extracts from human erythrocytes				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50046864 (6-(2,8-Diamino-6-oxo-1,6-dihydro-purin-9-yl)-hexan...) Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1CCCCCC(O)=O Show InChI InChI=1S/C11H16N6O3/c12-10-15-8-7(9(20)16-10)14-11(13)17(8)5-3-1-2-4-6(18)19/h1-5H2,(H2,13,14)(H,18,19)(H3,12,15,16,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against PNP activity in dialyzed extracts from human erythrocytes				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50046869 (2,8-Diamino-9-hexyl-1,9-dihydro-purin-6-one | CHEM...) Show SMILES CCCCCCn1c(N)nc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C11H18N6O/c1-2-3-4-5-6-17-8-7(14-11(17)13)9(18)16-10(12)15-8/h2-6H2,1H3,(H2,13,14)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description Compound was evaluated for the inhibitory activity against PNP activity in dialyzed extracts from human erythrocytes				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50207253 (2,8-Diamino-9-(2-hydroxy-ethoxymethyl)-1,9-dihydro...) Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1COCCO Show InChI InChI=1S/C8H12N6O3/c9-7-12-5-4(6(16)13-7)11-8(10)14(5)3-17-2-1-15/h15H,1-3H2,(H2,10,11)(H3,9,12,13,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50046867 (2-Amino-9-(2-iodo-ethoxymethyl)-1,9-dihydro-purin-...) Show SMILES Nc1nc2n(COCCI)cnc2c(=O)[nH]1 Show InChI InChI=1S/C8H10IN5O2/c9-1-2-16-4-14-3-11-5-6(14)12-8(10)13-7(5)15/h3H,1-2,4H2,(H3,10,12,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50207401 (2-Amino-8-bromo-9-(2-hydroxy-ethoxymethyl)-1,9-dih...) Show SMILES Nc1nc2n(COCCO)c(Br)nc2c(=O)[nH]1 Show InChI InChI=1S/C8H10BrN5O3/c9-7-11-4-5(12-8(10)13-6(4)16)14(7)3-17-2-1-15/h15H,1-3H2,(H3,10,12,13,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50046868 (2,8-Diamino-9-(2-iodo-ethoxymethyl)-1,9-dihydro-pu...) Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1COCCI Show InChI InChI=1S/C8H11IN6O2/c9-1-2-17-3-15-5-4(12-8(15)11)6(16)14-7(10)13-5/h1-3H2,(H2,11,12)(H3,10,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50368828 (CHEMBL603290) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2)OC([C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C16H16N4O4S/c21-13-9(6-25-8-4-2-1-3-5-8)24-15(14(13)22)11-10-12(20-19-11)16(23)18-7-17-10/h1-5,7,9,13-15,21-22H,6H2,(H,19,20)(H,17,18,23)/t9-,13-,14-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50368824 (CHEMBL606113) Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1C1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H17FN6O8S/c18-33(29,30)7-3-1-6(2-4-7)15(28)31-5-8-10(25)11(26)14(32-8)24-12-9(21-17(24)20)13(27)23-16(19)22-12/h1-4,8,10-11,14,25-26H,5H2,(H2,20,21)(H3,19,22,23,27)/t8-,10-,11-,14?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50368827 (CHEMBL606330) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H16FN5O8S/c18-32(28,29)8-3-1-7(2-4-8)16(27)30-5-9-11(24)12(25)15(31-9)23-6-20-10-13(23)21-17(19)22-14(10)26/h1-4,6,9,11-12,15,24-25H,5H2,(H3,19,21,22,26)/t9-,11-,12-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50367285 (CHEMBL603183) Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50039559 (CHEMBL267803 | [5-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(CCCCCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H16N5O4P/c11-10-13-8-7(9(16)14-10)12-6-15(8)4-2-1-3-5-20(17,18)19/h6H,1-5H2,(H2,17,18,19)(H3,11,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50021776 (2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...) Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50368826 (CHEMBL603298) Show SMILES O[C@@H]1[C@@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)OC([C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r| Show InChI InChI=1S/C17H15FN4O8S/c18-31(27,28)8-3-1-7(2-4-8)17(26)29-5-9-13(23)14(24)15(30-9)11-10-12(22-21-11)16(25)20-6-19-10/h1-4,6,9,13-15,23-24H,5H2,(H,21,22)(H,19,20,25)/t9-,13-,14-,15?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Defense Medical Center Curated by ChEMBL					Assay Description PNP activity in human RBC				J Med Chem 36: 1024-31 (1993) BindingDB Entry DOI: 10.7270/Q2CV4JCQ
					More data for this Ligand-Target Pair