BDBM50081804 (Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9-yl)-ethyl]-cyclopropyl}-methyl)-phosphonic acid::CHEMBL317966

SMILES: OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O

InChI Key: InChIKey=QVQSDTSXZCLYNT-RNFRBKRXSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50081804   

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))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair
Purine nucleoside phosphorylase (Homo sapiens (Human))	BDBM50081804 ((Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9...) Show SMILES OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C11H13F2N4O4P/c12-11(13,22(19,20)21)7-3-6(7)1-2-17-5-16-8-9(17)14-4-15-10(8)18/h4-7H,1-3H2,(H,14,15,18)(H2,19,20,21)/t6-,7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Pharmacy & Life Science Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp				Bioorg Med Chem Lett 9: 2833-6 (1999) BindingDB Entry DOI: 10.7270/Q2JQ107B
					More data for this Ligand-Target Pair