BindingDB PrimarySearch

BDBM50195587 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL::7-((2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::CHEMBL1213652::CHEMBL218291::Immucillin-H

SMILES: OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O

InChI Key: InChIKey=IWKXDMQDITUYRK-KUBHLMPHSA-N

Data: 14 KI 2 IC50 3 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50195587
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Inhbitory activity of compound against human purine nucleoside phosphorylase (PNP)				J Med Chem 47: 3275-81 (2004) Article DOI: 10.1021/jm0306475 BindingDB Entry DOI: 10.7270/Q2PZ59J8
Industrial Research Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Equilibrium dissociation constant determined against human purine nucleoside phosphorylase (PNP) after slow-onset inhibition				J Med Chem 46: 3412-23 (2003) Article DOI: 10.1021/jm030145r BindingDB Entry DOI: 10.7270/Q2X92C29
Industrial Research Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	0.0560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Dissociation constant against Human Purine Nucleoside Phosphorylase was reported				J Med Chem 46: 5271-6 (2003) Article DOI: 10.1021/jm030305z BindingDB Entry DOI: 10.7270/Q23N2449
Industrial Research Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	0.0579	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine of Yeshiva University Curated by ChEMBL					Assay Description Equilibrium binding affinity to wild type human PNP				Bioorg Med Chem Lett 18: 5900-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H
					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Plasmodium falciparum)	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	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
Universit£ Montpellier Curated by ChEMBL					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Plasmodium falciparum)	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	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
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human PNP activity				J Med Chem 49: 6037-45 (2006) Article DOI: 10.1021/jm060547+ BindingDB Entry DOI: 10.7270/Q2NV9K11
Universit£ degli Studi di Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	3.30	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; Initial rate.				J Med Chem 46: 3412-23 (2003) Article DOI: 10.1021/jm030145r BindingDB Entry DOI: 10.7270/Q2X92C29
Industrial Research Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Limited Curated by ChEMBL					Assay Description Binding affinity towards Human Purine Nucleoside Phosphorylase was reported				J Med Chem 46: 5271-6 (2003) Article DOI: 10.1021/jm030305z BindingDB Entry DOI: 10.7270/Q23N2449
Industrial Research Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine of Yeshiva University Curated by ChEMBL					Assay Description Initial binding affinity to wild type human PNP				Bioorg Med Chem Lett 18: 5900-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.047 BindingDB Entry DOI: 10.7270/Q2SX6F4H
					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Plasmodium falciparum)	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	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
Universit£ Montpellier Curated by ChEMBL					More data for this Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP) (Bos taurus (bovine))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy and Life Sciences Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP assessed as inhibition of 7-methylguanosine phosphorolysis after 50 mins by spectrophotometry in presence of 50 mM inor...				Bioorg Med Chem 18: 2275-84 (2010) Article DOI: 10.1016/j.bmc.2010.01.062 BindingDB Entry DOI: 10.7270/Q2N58MG0
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	56	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 PNP by xanthine-oxidase coupled assay				J Med Chem 52: 1126-43 (2009) Article DOI: 10.1021/jm801421q BindingDB Entry DOI: 10.7270/Q2QR4Z18
Industrial Research Limited Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	72	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 human 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
Universit£ Montpellier Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human PNP activity				J Med Chem 49: 6037-45 (2006) Article DOI: 10.1021/jm060547+ BindingDB Entry DOI: 10.7270/Q2NV9K11
Universit£ degli Studi di Siena Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	0.0560	n/a	n/a	n/a	n/a	n/a
Instituto de Parasitología y Biomedicina López-Neyra Curated by ChEMBL					Assay Description Inhibition of human PNP				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 (PNP) (Bos taurus (bovine))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	0.0230	n/a	n/a	n/a	n/a	n/a
University of Warsaw Curated by ChEMBL					Assay Description Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry				Bioorg Med Chem 20: 6758-69 (2012) Article DOI: 10.1016/j.bmc.2012.08.045 BindingDB Entry DOI: 10.7270/Q23N24H7
University of Warsaw Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	0.0580	n/a	n/a	n/a	n/a	n/a
Albert Einstein College of Medicine Curated by ChEMBL					Assay Description Binding affinity to human PNP				Nat Chem Biol 5: 551-8 (2009) Article DOI: 10.1038/nchembio.202 BindingDB Entry DOI: 10.7270/Q2GX4BRS
Albert Einstein College of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50195587 (1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
BioCryst Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human purine nucleoside phosphorylase				Bioorg Med Chem Lett 19: 2627-9 (2009) Article DOI: 10.1016/j.bmcl.2009.04.018 BindingDB Entry DOI: 10.7270/Q2VX0HFQ
BioCryst Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair