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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)
LigandTarget/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
pHTemp
°C
DNA polymerase beta


(Homo sapiens (Human))
BDBM50335553
PNG
(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
Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/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/delta/epsilon)


(Homo sapiens (Human))
BDBM50335553
PNG
(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
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/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