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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50408428'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA polymerase beta


(Homo sapiens (Human))
BDBM50408428
PNG
(CHEMBL2092834)
Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H](C[C@H]1F)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14FN2O13P3/c10-5-3-8(12-2-1-7(13)11-9(12)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
PDB
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KEGG
PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (beta)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50408428
PNG
(CHEMBL2092834)
Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H](C[C@H]1F)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C9H14FN2O13P3/c10-5-3-8(12-2-1-7(13)11-9(12)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t5-,6+,8+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Max-Delbr�ck-Centrum f�r Molekulare Medizin

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of cellular DNA polymerase (beta)


J Med Chem 41: 2040-6 (1998)


Article DOI: 10.1021/jm9704210
BindingDB Entry DOI: 10.7270/Q2FT8MQT
More data for this
Ligand-Target Pair