BDBM50089444 CHEMBL3578110

SMILES: Nc1nc2n(CCN(CCN(CCO)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1

InChI Key: InChIKey=ZYEWFPICNGUTTE-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 = 50089444   

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))	BDBM50089444 (CHEMBL3578110) Show SMILES Nc1nc2n(CCN(CCN(CCO)CCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C15H29N7O8P2/c16-15-18-13-12(14(24)19-15)17-11-22(13)4-3-20(6-9-31(25,26)27)1-2-21(5-8-23)7-10-32(28,29)30/h11,23H,1-10H2,(H2,25,26,27)(H2,28,29,30)(H3,16,18,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human HGPRT				J Med Chem 58: 4822-38 (2015) Article DOI: 10.1021/acs.jmedchem.5b00611 BindingDB Entry DOI: 10.7270/Q2JH3NXV
					More data for this Ligand-Target Pair