BDBM50252909 (3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluoro-4-hydroxymethyl pyrrolidin-3-ol::CHEMBL522870::Immucillins, 5

SMILES: OC[C@]1(F)CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@H]1O

InChI Key: InChIKey=VFUSATHXTREUCA-PRHODGIISA-N

Data: 4 KI  2 ITC

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50252909   

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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.82	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 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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Industrial Research Limited Curated by ChEMBL					Assay Description Inhibition of human 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 (PNP) (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 (PNP) (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

Activity Spreadsheet -- ITC Data from BindingDB

Found 2 hits for monomerid = 50252909

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252909 ((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-12.0	n/a	n/a	8.80	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252909 ((3R,4R)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluo...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-15.6	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)