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BDBM50242088 (7S,8R,1'S,5'S,6'R)-delta 2',8'-5',6'-Dihydroxy-3'-methoxy-3,4-methylenedioxy-4'-oxo-8.1',7.5'-neolignan::CHEMBL511272

SMILES: COC1=C[C@]2(CC=C)[C@H](C)[C@@H](c3ccc4OCOc4c3)[C@](O)([C@@H]2O)C1=O

InChI Key: InChIKey=ARJPOKJXTYKNPF-KVHFVPOGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50242088   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA polymerase beta


(Homo sapiens)
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
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
PDB
MMDB

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Similars

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)

More data for this
Ligand-Target Pair