BDBM50335553 CHEMBL1652466::[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)ethoxy]methyl}(hydroxy)phosphoryl)oxy]phosphonic acid

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

InChI Key: InChIKey=HTCVLHBMFDJHHS-UHFFFAOYSA-N

Data: 2 IC50

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 = 50335553   

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
DNA polymerase beta (Homo sapiens (Human))	BDBM50335553 (CHEMBL1652466 | [({[2-(2-amino-6-oxo-6,9-dihydro-3...) Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C8H13N5O8P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-20-4-22(15,16)21-23(17,18)19/h3H,1-2,4H2,(H,15,16)(H2,17,18,19)(H3,9,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase beta by microplate reader analysis				Antimicrob Agents Chemother 53: 2777-84 (2009) Article DOI: 10.1128/AAC.00103-09 BindingDB Entry DOI: 10.7270/Q2M32W2N
					More data for this Ligand-Target Pair
DNA polymerase alpha catalytic subunit (Homo sapiens (Human))	BDBM50335553 (CHEMBL1652466 | [({[2-(2-amino-6-oxo-6,9-dihydro-3...) Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C8H13N5O8P2/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-20-4-22(15,16)21-23(17,18)19/h3H,1-2,4H2,(H,15,16)(H2,17,18,19)(H3,9,11,12,14)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Inhibition of human DNA polymerase alpha by microplate reader analysis				Antimicrob Agents Chemother 53: 2777-84 (2009) Article DOI: 10.1128/AAC.00103-09 BindingDB Entry DOI: 10.7270/Q2M32W2N
					More data for this Ligand-Target Pair