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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA polymerase beta' and Ligand = 'BDBM50242088'   
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))
BDBM50242088
PNG
((7S,8R,1'S,5'S,6'R)-delta 2',8'-5',6'-Dihydroxy-3'...)
Show SMILES COC1=C[C@]2(CC=C)[C@H](C)[C@@H](c3ccc4OCOc4c3)[C@](O)([C@@H]2O)C1=O |r,t:2,TLB:23:22:10.8:3.24.2|
Show InChI InChI=1S/C20H22O6/c1-4-7-19-9-15(24-3)17(21)20(23,18(19)22)16(11(19)2)12-5-6-13-14(8-12)26-10-25-13/h4-6,8-9,11,16,18,22-23H,1,7,10H2,2-3H3/t11-,16+,18-,19-,20-/m1/s1
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PC cid
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Article
PubMed
n/an/a 1.53E+4n/an/an/an/an/an/a



Virginia Polytechnic Institute and State University

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta (unknown origin) lyase activity


J Nat Prod 67: 964-7 (2004)


Article DOI: 10.1021/np030507y
BindingDB Entry DOI: 10.7270/Q2FQ9WDF
More data for this
Ligand-Target Pair