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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 = 'BDBM50184752'   
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))
BDBM50184752
PNG
((3aS,4S,7R,7aR)-1,6-dihexadecyl-2,7-bis(isopropoxy...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C(=O)OC(C)C)C(=O)[C@H]2[C@@H]1[C@@H](C(=O)OC(C)C)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O |c:16,52|
Show InChI InChI=1S/C50H86O7/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40-37-42(48(52)53)45-44(43(40)49(54)56-38(3)4)41(46(47(45)51)50(55)57-39(5)6)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-39,42-45H,7-36H2,1-6H3,(H,52,53)/t42-,43-,44-,45+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



The University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta


Bioorg Med Chem Lett 16: 2877-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.005
BindingDB Entry DOI: 10.7270/Q25D8RF8
More data for this
Ligand-Target Pair