BDBM50214708 6-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,1-difluorohexylphosphonic acid::CHEMBL236711

SMILES: Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1

InChI Key: InChIKey=OUWQMLDMMGTQER-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50214708   

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 (PNP) (Bos taurus (bovine))	BDBM50214708 (6-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H17F2N4O4P/c13-12(14,23(20,21)22)5-3-1-2-4-7-6-16-9-8(7)17-11(15)18-10(9)19/h6,16H,1-5H2,(H2,20,21,22)(H3,15,17,18,19)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	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 PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50214708 (6-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyri...) Show SMILES Nc1nc2c(CCCCCC(F)(F)P(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C12H17F2N4O4P/c13-12(14,23(20,21)22)5-3-1-2-4-7-6-16-9-8(7)17-11(15)18-10(9)19/h6,16H,1-5H2,(H2,20,21,22)(H3,15,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.5	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 human PNP in presence of 1 mM phosphate				Bioorg Med Chem Lett 17: 4173-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.054 BindingDB Entry DOI: 10.7270/Q29P31CS
					More data for this Ligand-Target Pair