Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50012780   

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 (Bos taurus (bovine))	BDBM50122726 (2-Hydroxymethyl-5-(4-hydroxy-5H-pyrrolo[3,2-d]pyri...) Show SMILES OC[C@H]1NC([C@@H](O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O 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 Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibitory activity of compound against bovine purine nucleoside phosphorylase(PNP)				J Med Chem 46: 155-60 (2002) Article DOI: 10.1021/jm0203332 BindingDB Entry DOI: 10.7270/Q2DF6QJZ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	0.0290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibitory activity of compound against human purine nucleoside phosphorylase(PNP)				J Med Chem 46: 155-60 (2002) Article DOI: 10.1021/jm0203332 BindingDB Entry DOI: 10.7270/Q2DF6QJZ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	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 Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibitory activity of compound against bovine purine nucleoside phosphorylase(PNP)				J Med Chem 46: 155-60 (2002) Article DOI: 10.1021/jm0203332 BindingDB Entry DOI: 10.7270/Q2DF6QJZ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50422435 (CHEMBL2311112) Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O Show InChI InChI=1S/C10H13N5O4/c16-1-3-8(17)9(18)6(13-3)5-4-7(15-14-5)10(19)12-2-11-4/h2-3,6,8-9,13,16-18H,1H2,(H,14,15)(H,11,12,19)/t3-,6+,8-,9+/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibitory activity of compound against bovine purine nucleoside phosphorylase(PNP)				J Med Chem 46: 155-60 (2002) Article DOI: 10.1021/jm0203332 BindingDB Entry DOI: 10.7270/Q2DF6QJZ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Bos taurus (bovine))	BDBM50122724 (4-Amino-5-(3,4-dihydroxy-5-hydroxymethyl-pyrrolidi...) Show SMILES NC(=O)c1[nH]nc(C2N[C@H](CO)[C@H](O)[C@@H]2O)c1N Show InChI InChI=1S/C9H15N5O4/c10-3-4(13-14-5(3)9(11)18)6-8(17)7(16)2(1-15)12-6/h2,6-8,12,15-17H,1,10H2,(H2,11,18)(H,13,14)/t2-,6?,7+,8-/m1/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibitory activity of compound against bovine purine nucleoside phosphorylase(PNP)				J Med Chem 46: 155-60 (2002) Article DOI: 10.1021/jm0203332 BindingDB Entry DOI: 10.7270/Q2DF6QJZ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50122726 (2-Hydroxymethyl-5-(4-hydroxy-5H-pyrrolo[3,2-d]pyri...) Show SMILES OC[C@H]1NC([C@@H](O)[C@H]1O)c1c[nH]c2c1nc[nH]c2=O 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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibitory activity of compound against human purine nucleoside phosphorylase(PNP)				J Med Chem 46: 155-60 (2002) Article DOI: 10.1021/jm0203332 BindingDB Entry DOI: 10.7270/Q2DF6QJZ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50122724 (4-Amino-5-(3,4-dihydroxy-5-hydroxymethyl-pyrrolidi...) Show SMILES NC(=O)c1[nH]nc(C2N[C@H](CO)[C@H](O)[C@@H]2O)c1N Show InChI InChI=1S/C9H15N5O4/c10-3-4(13-14-5(3)9(11)18)6-8(17)7(16)2(1-15)12-6/h2,6-8,12,15-17H,1,10H2,(H2,11,18)(H,13,14)/t2-,6?,7+,8-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.0960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibitory activity of compound against human purine nucleoside phosphorylase(PNP)				J Med Chem 46: 155-60 (2002) Article DOI: 10.1021/jm0203332 BindingDB Entry DOI: 10.7270/Q2DF6QJZ
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50422435 (CHEMBL2311112) Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O Show InChI InChI=1S/C10H13N5O4/c16-1-3-8(17)9(18)6(13-3)5-4-7(15-14-5)10(19)12-2-11-4/h2-3,6,8-9,13,16-18H,1H2,(H,14,15)(H,11,12,19)/t3-,6+,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibitory activity of compound against human purine nucleoside phosphorylase(PNP)				J Med Chem 46: 155-60 (2002) Article DOI: 10.1021/jm0203332 BindingDB Entry DOI: 10.7270/Q2DF6QJZ
					More data for this Ligand-Target Pair