null

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

InChI Key: InChIKey=NEFCDHVOIJJYDC-NEPJUHHUSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50246590   

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))	BDBM50246590 (7-(((3R,4S)-3-hydroxy-4-(propylthiomethyl)pyrrolid...) Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C15H22N4O2S/c1-2-3-22-8-11-6-19(7-12(11)20)5-10-4-16-14-13(10)17-9-18-15(14)21/h4,9,11-12,16,20H,2-3,5-8H2,1H3,(H,17,18,21)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00980	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 (Homo sapiens (Human))	BDBM50246590 (7-(((3R,4S)-3-hydroxy-4-(propylthiomethyl)pyrrolid...) Show SMILES CCCSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r| Show InChI InChI=1S/C15H22N4O2S/c1-2-3-22-8-11-6-19(7-12(11)20)5-10-4-16-14-13(10)17-9-18-15(14)21/h4,9,11-12,16,20H,2-3,5-8H2,1H3,(H,17,18,21)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.117	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