BDBM50039551 CHEMBL13448::[5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-3,3-dimethyl-pentyl]-phosphonic acid

SMILES: CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O

InChI Key: InChIKey=UYGTVQNSPBEEPR-UHFFFAOYSA-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 = 50039551   

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 (Rattus norvegicus)	BDBM50039551 (CHEMBL13448 | [5-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C12H20N5O4P/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)				J Med Chem 37: 2477-80 (1994) BindingDB Entry DOI: 10.7270/Q21G0K9T
					More data for this Ligand-Target Pair
Purine-nucleoside phosphorylase (Rattus norvegicus)	BDBM50039551 (CHEMBL13448 | [5-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C12H20N5O4P/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 1 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair
Purine-nucleoside phosphorylase (Rattus norvegicus)	BDBM50039551 (CHEMBL13448 | [5-(2-Amino-6-oxo-1,6-dihydro-purin-...) Show SMILES CC(C)(CCn1cnc2c1nc(N)[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C12H20N5O4P/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ciba-Geigy Corporation Curated by ChEMBL					Assay Description Inhibition of calf spleen PNP (purine nucleoside phosphorylase) in 50 mM phosphate				J Med Chem 37: 1109-14 (1994) BindingDB Entry DOI: 10.7270/Q2348JFD
					More data for this Ligand-Target Pair