BDBM50049962 CHEMBL172844::[7-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-heptyl]-phosphonic acid

SMILES: Nc1nc2n(CCCCCCCP(O)(O)=O)cnc2c(=O)[nH]1

InChI Key: InChIKey=GQISAWUIUNFGHP-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50049962   

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 (Homo sapiens (Human))	BDBM50049962 (CHEMBL172844 | [7-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(CCCCCCCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H20N5O4P/c13-12-15-10-9(11(18)16-12)14-8-17(10)6-4-2-1-3-5-7-22(19,20)21/h8H,1-7H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Burroughs Wellcome Co. Curated by ChEMBL					Assay Description In vitro inhibition of purine nucleoside phosphorylase isolated from human erythrocytes.				J Med Chem 39: 949-56 (1996) Article DOI: 10.1021/jm950736k BindingDB Entry DOI: 10.7270/Q2SN082H
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT) (Homo sapiens (Human))	BDBM50049962 (CHEMBL172844 | [7-(2-Amino-6-oxo-1,6-dihydro-purin...) Show SMILES Nc1nc2n(CCCCCCCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H20N5O4P/c13-12-15-10-9(11(18)16-12)14-8-17(10)6-4-2-1-3-5-7-22(19,20)21/h8H,1-7H2,(H2,19,20,21)(H3,13,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of Czech Republic Curated by ChEMBL					Assay Description Inhibition of human HGPRT				Bioorg Med Chem 20: 1076-89 (2012) Article DOI: 10.1016/j.bmc.2011.11.034 BindingDB Entry DOI: 10.7270/Q2RV0P44
					More data for this Ligand-Target Pair