Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50005798   

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))	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	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of human erythrocytic PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50039552 (CHEMBL267312 | [3,3-Dimethyl-5-(6-oxo-1,6-dihydro-...) Show SMILES CC(C)(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C12H19N4O4P/c1-12(2,4-6-21(18,19)20)3-5-16-8-15-9-10(16)13-7-14-11(9)17/h7-8H,3-6H2,1-2H3,(H,13,14,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of human erythrocytic PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50039555 (CHEMBL13130 | [5-(6-Oxo-1,6-dihydro-purin-9-yl)-pe...) Show SMILES OP(O)(=O)CCCCCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C10H15N4O4P/c15-10-8-9(11-6-12-10)14(7-13-8)4-2-1-3-5-19(16,17)18/h6-7H,1-5H2,(H,11,12,15)(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of human erythrocytic PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50041099 (9-(3,3-Dimethyl-pentyl)-1,9-dihydro-purin-6-one | ...) Show SMILES CCC(C)(C)CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C12H18N4O/c1-4-12(2,3)5-6-16-8-15-9-10(16)13-7-14-11(9)17/h7-8H,4-6H2,1-3H3,(H,13,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of human erythrocytic PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50039551 (CHEMBL13448 | [5-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C12H20N5O4P/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041095 (5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,3-dimet...) Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(O)(=O)=O Show InChI InChI=1S/C12H19N5O4S/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H,19,20,21)(H3,13,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50039551 (CHEMBL13448 | [5-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C12H20N5O4P/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041097 (6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...) Show SMILES CC(C)(CCC(O)=O)CCn1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C13H19N5O3/c1-13(2,4-3-8(19)20)5-6-18-7-15-9-10(18)16-12(14)17-11(9)21/h7H,3-6H2,1-2H3,(H,19,20)(H3,14,16,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041095 (5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,3-dimet...) Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(O)(=O)=O Show InChI InChI=1S/C12H19N5O4S/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H,19,20,21)(H3,13,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041096 (2-Amino-9-(5-mercapto-3,3-dimethyl-pentyl)-1,9-dih...) Show SMILES CC(C)(CCS)CCn1cnc2c1nc(N)[nH]c2=S Show InChI InChI=1S/C12H19N5S2/c1-12(2,4-6-18)3-5-17-7-14-8-9(17)15-11(13)16-10(8)19/h7,18H,3-6H2,1-2H3,(H3,13,15,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041096 (2-Amino-9-(5-mercapto-3,3-dimethyl-pentyl)-1,9-dih...) Show SMILES CC(C)(CCS)CCn1cnc2c1nc(N)[nH]c2=S Show InChI InChI=1S/C12H19N5S2/c1-12(2,4-6-18)3-5-17-7-14-8-9(17)15-11(13)16-10(8)19/h7,18H,3-6H2,1-2H3,(H3,13,15,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041093 (5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,3-dimet...) Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(N)(=O)=O Show InChI InChI=1S/C12H20N6O3S/c1-12(2,4-6-22(14,20)21)3-5-18-7-15-8-9(18)16-11(13)17-10(8)19/h7H,3-6H2,1-2H3,(H2,14,20,21)(H3,13,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041098 (6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...) Show SMILES CC(C)(CCC(N)=O)CCn1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C13H20N6O2/c1-13(2,4-3-8(14)20)5-6-19-7-16-9-10(19)17-12(15)18-11(9)21/h7H,3-6H2,1-2H3,(H2,14,20)(H3,15,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041094 (6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...) Show SMILES CC(C)(CCC#N)CCn1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C13H18N6O/c1-13(2,4-3-6-14)5-7-19-8-16-9-10(19)17-12(15)18-11(9)20/h8H,3-5,7H2,1-2H3,(H3,15,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041097 (6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...) Show SMILES CC(C)(CCC(O)=O)CCn1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C13H19N5O3/c1-13(2,4-3-8(19)20)5-6-18-7-15-9-10(18)16-12(14)17-11(9)21/h7H,3-6H2,1-2H3,(H,19,20)(H3,14,16,17,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041094 (6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...) Show SMILES CC(C)(CCC#N)CCn1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C13H18N6O/c1-13(2,4-3-6-14)5-7-19-8-16-9-10(19)17-12(15)18-11(9)20/h8H,3-5,7H2,1-2H3,(H3,15,17,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041093 (5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,3-dimet...) Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCS(N)(=O)=O Show InChI InChI=1S/C12H20N6O3S/c1-12(2,4-6-22(14,20)21)3-5-18-7-15-8-9(18)16-11(13)17-10(8)19/h7H,3-6H2,1-2H3,(H2,14,20,21)(H3,13,16,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Rattus norvegicus)	BDBM50041098 (6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimet...) Show SMILES CC(C)(CCC(N)=O)CCn1cnc2c1nc(N)[nH]c2=O Show InChI InChI=1S/C13H20N6O2/c1-13(2,4-3-8(14)20)5-6-19-7-16-9-10(19)17-12(15)18-11(9)21/h7H,3-6H2,1-2H3,(H2,14,20)(H3,15,17,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair