BDBM50543762 CHEMBL4643732

SMILES COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@]3(C)[C@H]4CC=C5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)ccc1O

InChI Key InChIKey=NCAUKTRHFNKPLU-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50543762   

TargetTyrosyl-DNA phosphodiesterase 1(Human)
Sun Yat-Sen University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50543762BDBM50543762(CHEMBL4643732)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of TDP1 (unknown origin) expressed in Escherichia coli BL21 (DE3) using 5'-FAM-AGGATCTAAAAGACTT-BHQ-3' as substrate preincubated for 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed