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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 = 'BDBM50260079'   
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


(Rattus norvegicus)
BDBM50260079
PNG
(30-(4'-hydroxybenzoyloxy)-11alpha-hydroxylupane-20...)
Show SMILES C[C@]12CC[C@H]([C@@H]1[C@H]1C[C@@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)COC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C37H52O5/c1-22(21-42-32(41)23-8-10-24(38)11-9-23)25-12-15-34(4)18-19-36(6)26(30(25)34)20-27(39)31-35(5)16-14-29(40)33(2,3)28(35)13-17-37(31,36)7/h8-11,25-28,30-31,38-39H,1,12-21H2,2-7H3/t25-,26+,27+,28-,30+,31+,34+,35-,36+,37+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.28E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of lyase activity of rat DNA polymerase beta after 30 mins by deoxyribose phosphate excision assay


J Nat Prod 67: 1744-7 (2004)


Article DOI: 10.1021/np040057p
BindingDB Entry DOI: 10.7270/Q2251K28
More data for this
Ligand-Target Pair