BDBM50293836 CHEMBL541006::RS-(1-(2-amino-6-oxo-7,8-dihydro-1H-purin-9(6H)-yl)-3-fluoropropan-2-yloxy)methylphosphonate

SMILES: Nc1nc2N(CC(CF)OCP(O)(O)=O)CNc2c(=O)[nH]1

InChI Key: InChIKey=AICLCLQIJAKRBW-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50293836   

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
Hypoxanthine-guanine phosphoribosyltransferase (Homo sapiens (Human))	BDBM50293836 (CHEMBL541006 | RS-(1-(2-amino-6-oxo-7,8-dihydro-1H...) Show SMILES Nc1nc2N(CC(CF)OCP(O)(O)=O)CNc2c(=O)[nH]1 Show InChI InChI=1S/C9H15FN5O5P/c10-1-5(20-4-21(17,18)19)2-15-3-12-6-7(15)13-9(11)14-8(6)16/h5,12H,1-4H2,(H2,17,18,19)(H3,11,13,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	8.5	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HGPRT at pH 8.5 by spectrophotometric assay				J Med Chem 52: 4391-9 (2009) Article DOI: 10.1021/jm900267n BindingDB Entry DOI: 10.7270/Q27M0809
					More data for this Ligand-Target Pair				3D Structure (docked)