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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 = 'BDBM104089'   
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))
BDBM104089
PNG
((Z)-5-(3-Nitro-4-(o-tolylthio)benzylidene)-2-thiox...)
Show SMILES Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1[N+]([O-])=O |w:12.12,c:17|
Show InChI InChI=1S/C17H12N2O3S3/c1-10-4-2-3-5-13(10)24-14-7-6-11(8-12(14)19(21)22)9-15-16(20)18-17(23)25-15/h2-9H,1H3,(H,18,20,23)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.82E+4n/an/an/an/a7.9n/a



University of Konstanz



Assay Description
Pol β reactions were made in a final volume of 20uL containing 50mM Tris-HCl pH 7.9, 20mM KCl, 5% (v/v) glycerol, 1mM DTT, 2mM MnCl2, 250nM puri...


ACS Chem Biol 9: 282-90 (2014)


Article DOI: 10.1021/cb4007562
BindingDB Entry DOI: 10.7270/Q20K276T
More data for this
Ligand-Target Pair