BDBM50438480 CHEMBL2414635

SMILES: OCC(CNCc1c[nH]c2c1nc[nH]c2=O)CP(O)(O)=O

InChI Key: InChIKey=NLOFJVULMKZOAK-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 = 50438480   

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 (HGPRT) (Homo sapiens (Human))	BDBM50438480 (CHEMBL2414635) Show SMILES OCC(CNCc1c[nH]c2c1nc[nH]c2=O)CP(O)(O)=O Show InChI InChI=1S/C11H17N4O5P/c16-4-7(5-21(18,19)20)1-12-2-8-3-13-10-9(8)14-6-15-11(10)17/h3,6-7,12-13,16H,1-2,4-5H2,(H,14,15,17)(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Industrial Research Ltd Curated by ChEMBL					Assay Description Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by sp...				Bioorg Med Chem 21: 5629-46 (2013) Article DOI: 10.1016/j.bmc.2013.02.016 BindingDB Entry DOI: 10.7270/Q2N58NSF
					More data for this Ligand-Target Pair