BDBM50392252 CHEMBL2153491

SMILES: OP(O)(=O)CCN(CCCC#N)CCn1cnc2c1nc[nH]c2=O

InChI Key: InChIKey=KKGWUKXRRUKRLT-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 = 50392252   

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))	BDBM50392252 (CHEMBL2153491) Show SMILES OP(O)(=O)CCN(CCCC#N)CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C13H19N6O4P/c14-3-1-2-4-18(7-8-24(21,22)23)5-6-19-10-17-11-12(19)15-9-16-13(11)20/h9-10H,1-2,4-8H2,(H,15,16,20)(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine				J Med Chem 55: 6209-23 (2012) Article DOI: 10.1021/jm300662d BindingDB Entry DOI: 10.7270/Q2VX0HND
					More data for this Ligand-Target Pair