BDBM50252865 (+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluoro-4-hydroxymethylpyrrolidin-3-ol::(3S,4S)-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fluoro-4-hydroxymethyl pyrrolidin-3-ol::CHEMBL498940::Immucillins, 1

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

InChI Key: InChIKey=VFUSATHXTREUCA-UFBFGSQYSA-N

Data: 8 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 8 hits for monomerid = 50252865   

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))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) 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-/m0/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	0.0320	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))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) 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-/m0/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	0.0660	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))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) 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-/m0/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	0.330	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 (Homo sapiens (Human))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) 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-/m0/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	0.5	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)	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) 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-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.63	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)	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) 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-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	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)	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) 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-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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
Purine Nucleoside Phosphorylase (PNP) (Plasmodium falciparum)	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...) 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-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.3	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 = 50252865

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))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		-60.2	n/a	n/a	n/a	7.40	25
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50252865 ((+/-)-cis-1-((9-Deazahypoxanthin-9-yl)methyl)-4-fl...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid		n/a	n/a	-22.7	n/a	7.40	27
Albert Einstein College of Medicine					Biochemistry 48: 5226-38 (2009)