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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apurinic-apyrimidinic endonuclease 1 (APE-1)' and Ligand = 'BDBM119124'   
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
Apurinic-apyrimidinic endonuclease 1 (APE-1)


(Homo sapiens (Human))
BDBM119124
PNG
((E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-...)
Show SMILES CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NOC |w:10.10,c:11,t:18|
Show InChI InChI=1S/C22H33NO6/c1-6-7-8-9-10-11-12-13-16(22(26)23-29-5)14-17-15(2)18(24)20(27-3)21(28-4)19(17)25/h14H,6-13H2,1-5H3,(H,23,26)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.50E+3n/an/an/an/a7.5n/a



Indiana University School of Medicine, Indianapolis, IN 46202, USA



Assay Description
E3330 or E3330-amide was preincubated with 2 μL of APE1 (reduced with 1.0 mM DTT for 10 min and then diluted to a concentration of 0.06 mM with ...


Biochemistry 52: 2955-66 (2013)


Article DOI: 10.1021/bi400179m
BindingDB Entry DOI: 10.7270/Q2TQ605T
More data for this
Ligand-Target Pair